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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-11-7-8-12(9-14(11)21)22-16(26)10-28-20-24-17-13-5-3-4-6-15(13)23-18(17)19(27)25(20)2/h3-9,23H,10H2,1-2H3,(H,22,26)