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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]azepan-2-one Formula: C25H20ClN3O2S2 MolecularWeight: 494.0282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H20ClN3O2S2/c26-18-11-9-17(10-12-18)24(30)29-13-5-4-8-20(25(29)31)32-22-19-14-21(16-6-2-1-3-7-16)33-23(19)28-15-27-22/h1-3,6-7,9-12,14-15,20H,4-5,8,13H2