(3S)-1-(4-chlorophenyl)carbonyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(4-thieno[2,3-d]pyrimidinylthio)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-thieno[2,3-d]pyrimidin-4-ylsulfanylazepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(thieno[2,3-d]pyrimidin-4-ylthio)azepan-2-one Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C=CS3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=NC=NC3=C2C=CS3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN3O2S2/c20-13-6-4-12(5-7-13)18(24)23-9-2-1-3-15(19(23)25)27-17-14-8-10-26-16(14)21-11-22-17/h4-8,10-11,15H,1-3,9H2/t15-/m0/s1