2-[[3-(4-chlorophenyl)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-(4-chlorophenyl)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-(4-chlorophenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-(4-chlorophenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-(4-chlorophenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[3-(4-chlorophenyl)-4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-phenyl-acetamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN3O2S2/c1-15-7-12-19-20(13-15)33-23-22(19)24(31)29(18-10-8-16(26)9-11-18)25(28-23)32-14-21(30)27-17-5-3-2-4-6-17/h2-6,8-11,15H,7,12-14H2,1H3,(H,27,30)