3-(3-phenylpropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(3-phenylpropanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(hydrocinnamoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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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)