ethyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

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

InChI

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