butyl 4-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: butyl 4-(3-benzylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(3-benzylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(benzylthio)propanoylamino]benzoic acid butyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-2-3-14-25-21(24)18-9-11-19(12-10-18)22-20(23)13-15-26-16-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,22,23)