butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(4-chlorophenyl)thio]propanoylamino]benzoic acid butyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-2-3-13-25-20(24)15-4-8-17(9-5-15)22-19(23)12-14-26-18-10-6-16(21)7-11-18/h4-11H,2-3,12-14H2,1H3,(H,22,23)