ethyl 4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-anisoylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H28N2O5S/c1-4-24(26(31)28-20-13-9-19(10-14-20)27(32)34-5-2)35-23-8-6-7-21(17-23)29-25(30)18-11-15-22(33-3)16-12-18/h6-17,24H,4-5H2,1-3H3,(H,28,31)(H,29,30)