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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]azepan-2-one Formula: C26H22ClN3O2S2 MolecularWeight: 508.05478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H22ClN3O2S2/c1-16-28-23(20-15-22(34-24(20)29-16)17-7-3-2-4-8-17)33-21-9-5-6-14-30(26(21)32)25(31)18-10-12-19(27)13-11-18/h2-4,7-8,10-13,15,21H,5-6,9,14H2,1H3