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

Systemtic Name: butyl 4-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(veratroylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C28H30N2O6S MolecularWeight: 522.6126

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6S/c1-4-5-15-36-28(33)19-9-12-21(13-10-19)29-26(31)18-37-23-8-6-7-22(17-23)30-27(32)20-11-14-24(34-2)25(16-20)35-3/h6-14,16-17H,4-5,15,18H2,1-3H3,(H,29,31)(H,30,32)