N-(2-chloranyl-4-methyl-phenyl)-2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-(8-methoxy-3,5-dimethyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[(8-methoxy-3,5-dimethyl-4-oxo-2-pyrimido[5,4-b]indolyl)thio]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-(8-methoxy-3,5-dimethyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[(4-keto-8-methoxy-3,5-dimethyl-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)N(C4=C3C=C(C=C4)OC)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)N(C4=C3C=C(C=C4)OC)C)Cl

InChI

InChI=1S/C22H21ClN4O3S/c1-12-5-7-16(15(23)9-12)24-18(28)11-31-22-25-19-14-10-13(30-4)6-8-17(14)26(2)20(19)21(29)27(22)3/h5-10H,11H2,1-4H3,(H,24,28)