[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H26N2O4S/c1-4-13-23-21(26)16(3)28-22(27)18-7-5-6-8-19(18)29-14-20(25)24-17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)(H,24,25)