propyl 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C21H24N2O4S/c1-3-11-27-21(26)16-5-4-6-18(12-16)23-20(25)14-28-13-19(24)22-17-9-7-15(2)8-10-17/h4-10,12H,3,11,13-14H2,1-2H3,(H,22,24)(H,23,25)