methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-butyramidophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-3-6-18(23)21-14-9-11-15(12-10-14)27-13-19(24)22-17-8-5-4-7-16(17)20(25)26-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,23)(H,22,24)