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

Systemtic Name: butyl 4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-anisoylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H30N2O5S/c1-4-5-17-35-28(33)21-9-13-22(14-10-21)29-26(31)19(2)36-25-8-6-7-23(18-25)30-27(32)20-11-15-24(34-3)16-12-20/h6-16,18-19H,4-5,17H2,1-3H3,(H,29,31)(H,30,32)