N-benzyl-N-(4-fluorophenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide

Compound number:
MolPort-000-050-063
IUPAC:
N-benzyl-N-(4-fluorophenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
IUPAC traditional:
N-benzyl-N-(4-fluorophenyl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide
SMILES:
Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CSc1ncnc2sc3CCCc3c12
InChI key:
IKKUYEYBHJSSMR-UHFFFAOYSA-N
Molecular formula:
C24H20FN3OS2
Molecular weight: 449.56
Solubility: not available

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Compound Identifiers
Compound number: MolPort-000-050-063

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000012469634
N-(4-fluorophenyl)-N-benzyl-2-(5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b ]thiophen-4-ylthio)acetamide

InChI
InChI: 1S/C24H20FN3OS2/c25-17-9-11-18(12-10-17)28(13-16-5-2-1-3-6-16)21(29)14-30-23-22-19-7-4-8-20(19)31-24(22)27-15-26-23/h1-3,5-6,9-12,15H,4,7-8,13-14H2
InChI key: IKKUYEYBHJSSMR-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C24H20FN3OS2
Molecular weight: 449.56

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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