3-(3-phenylpropanoylcarbamothioylamino)benzoate

Systemtic Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoate Openeye Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(hydrocinnamoylthiocarbamoylamino)benzoate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c20-15(10-9-12-5-2-1-3-6-12)19-17(23)18-14-8-4-7-13(11-14)16(21)22/h1-8,11H,9-10H2,(H,21,22)(H2,18,19,20,23)/p-1