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

Systemtic Name: N-(4-acetamidophenyl)-2-[[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[3-(3-chloro-2-methyl-phenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H25ClN4O3S2 MolecularWeight: 553.0954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C)SC5=C3CCCC5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C)SC5=C3CCCC5

InChI

InChI=1S/C27H25ClN4O3S2/c1-15-20(28)7-5-8-21(15)32-26(35)24-19-6-3-4-9-22(19)37-25(24)31-27(32)36-14-23(34)30-18-12-10-17(11-13-18)29-16(2)33/h5,7-8,10-13H,3-4,6,9,14H2,1-2H3,(H,29,33)(H,30,34)