butyl 4-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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