butyl 4-[2-(3-acetamidophenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3-acetamidophenyl)sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-(3-acetamidophenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-(3-acetamidophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(3-acetamidophenyl)thio]propanoylamino]benzoic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-5-13-28-22(27)17-9-11-18(12-10-17)24-21(26)15(2)29-20-8-6-7-19(14-20)23-16(3)25/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,25)(H,24,26)