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

Systemtic Name: butyl 4-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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