ethanedioic acid; 2-[(3-methylphenyl)amino]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-[(3-methylphenyl)amino]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-(3-methylanilino)-N-(2-methylsulfanylphenyl)propanamide; oxalic acid CAS Name: 2-(3-methylanilino)-N-[2-(methylthio)phenyl]propanamide; oxalic acid IUPAC Name: 2-(3-methylanilino)-N-(2-methylsulfanylphenyl)propanamide; oxalic acid Traditional Name: N-[2-(methylthio)phenyl]-2-(m-toluidino)propionamide; oxalic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(C)C(=O)NC2=CC=CC=C2SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(C)C(=O)NC2=CC=CC=C2SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2OS.C2H2O4/c1-12-7-6-8-14(11-12)18-13(2)17(20)19-15-9-4-5-10-16(15)21-3;3-1(4)2(5)6/h4-11,13,18H,1-3H3,(H,19,20);(H,3,4)(H,5,6)