3-(phenethylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(phenethylcarbamothioylamino)benzoic acid Openeye Name: 3-(phenethylcarbamothioylamino)benzoic acid CAS Name: 3-[[(phenethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(phenethylcarbamothioylamino)benzoic acid Traditional Name: 3-(phenethylthiocarbamoylamino)benzoic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16N2O2S/c19-15(20)13-7-4-8-14(11-13)18-16(21)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,20)(H2,17,18,21)