methyl 2-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-3-23(25(30)28-22-15-8-7-14-21(22)26(31)32-2)33-20-13-9-12-19(17-20)27-24(29)16-18-10-5-4-6-11-18/h4-15,17,23H,3,16H2,1-2H3,(H,27,29)(H,28,30)