ethyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 3-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-2-25-19(24)15-8-6-9-16(14-15)21-20(27)22-18(23)12-7-13-26-17-10-4-3-5-11-17/h3-6,8-11,14H,2,7,12-13H2,1H3,(H2,21,22,23,27)