butyl 4-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(m-anisoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H28N2O5S/c1-3-4-15-34-27(32)19-11-13-21(14-12-19)28-25(30)18-35-24-10-6-8-22(17-24)29-26(31)20-7-5-9-23(16-20)33-2/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,28,30)(H,29,31)