methyl 4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(3-methylanilino)-4-oxo-butyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(3-methylanilino)-4-oxobutyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-4-(m-toluidino)butyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-15-5-3-6-18(13-15)23-19(24)7-4-12-28-14-20(25)22-17-10-8-16(9-11-17)21(26)27-2/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,22,25)(H,23,24)