2-[[3-(3-chloranyl-4-methyl-phenyl)-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-chloranyl-4-methyl-phenyl)-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-chloro-4-methyl-phenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-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-chloro-4-methylphenyl)-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-chloro-4-methyl-phenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C26H24ClN3O2S2 MolecularWeight: 510.07066

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O2S2/c1-16-12-13-18(14-20(16)27)30-25(32)23-19-10-6-7-11-21(19)34-24(23)28-26(30)33-15-22(31)29(2)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3