2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-quinolin-3-yl-propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-quinolin-3-yl-propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(3-quinolyl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(3-quinolinyl)propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinolin-3-ylpropanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(3-quinolyl)propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H21N3O2S/c1-14-7-9-17(10-8-14)23-20(25)13-27-15(2)21(26)24-18-11-16-5-3-4-6-19(16)22-12-18/h3-12,15H,13H2,1-2H3,(H,23,25)(H,24,26)