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

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N(C)C4=CC=CC=C4)SC5=C3CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N(C)C4=CC=CC=C4)SC5=C3CCCC5)C

InChI

InChI=1S/C27H27N3O2S2/c1-17-13-14-20(15-18(17)2)30-26(32)24-21-11-7-8-12-22(21)34-25(24)28-27(30)33-16-23(31)29(3)19-9-5-4-6-10-19/h4-6,9-10,13-15H,7-8,11-12,16H2,1-3H3