2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C31H24ClN3O3S2 MolecularWeight: 586.12356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H24ClN3O3S2/c32-22-16-14-21(15-17-22)28(36)34-18-8-7-13-25(29(34)37)40-31-33-27-26(24(19-39-27)20-9-3-1-4-10-20)30(38)35(31)23-11-5-2-6-12-23/h1-6,9-12,14-17,19,25H,7-8,13,18H2