2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-6-methyl-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C32H26ClN3O3S2 MolecularWeight: 600.15014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C32H26ClN3O3S2/c1-20-26(21-10-4-2-5-11-21)27-28(40-20)34-32(36(31(27)39)24-12-6-3-7-13-24)41-25-14-8-9-19-35(30(25)38)29(37)22-15-17-23(33)18-16-22/h2-7,10-13,15-18,25H,8-9,14,19H2,1H3