butyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: butyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(hydrocinnamoylthiocarbamoylamino)benzoic acid butyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-2-3-14-26-20(25)17-10-7-11-18(15-17)22-21(27)23-19(24)13-12-16-8-5-4-6-9-16/h4-11,15H,2-3,12-14H2,1H3,(H2,22,23,24,27)