propyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: propyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: propyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 3-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-2-13-27-20(25)16-8-6-9-17(15-16)22-21(28)23-19(24)12-7-14-26-18-10-4-3-5-11-18/h3-6,8-11,15H,2,7,12-14H2,1H3,(H2,22,23,24,28)