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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C20H17ClN4O3S/c1-25-19(27)18-17(12-5-3-4-6-13(12)23-18)24-20(25)29-10-16(26)22-14-9-11(21)7-8-15(14)28-2/h3-9,23H,10H2,1-2H3,(H,22,26)