2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(8-methyl-5-quinolyl)benzamide CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-N-(8-methyl-5-quinolinyl)benzamide IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(8-methylquinolin-5-yl)benzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(8-methyl-5-quinolyl)benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC(=C(C=C4)OC)OC)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC(=C(C=C4)OC)OC)C=CC=N2

InChI

InChI=1S/C27H25N3O4S/c1-17-10-12-21(19-8-6-14-28-26(17)19)30-27(32)20-7-4-5-9-24(20)35-16-25(31)29-18-11-13-22(33-2)23(15-18)34-3/h4-15H,16H2,1-3H3,(H,29,31)(H,30,32)