[2-(butylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

InChI

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