butyl 4-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate

Systemtic Name: butyl 4-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate Openeye Name: butyl 4-(2-benzylsulfanylethylcarbamoylamino)benzoate CAS Name: 4-[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2-benzylsulfanylethylcarbamoylamino)benzoate Traditional Name: 4-[2-(benzylthio)ethylcarbamoylamino]benzoic acid butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-2-3-14-26-20(24)18-9-11-19(12-10-18)23-21(25)22-13-15-27-16-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H2,22,23,25)