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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

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