4-(phenethylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(phenethylcarbamothioylamino)benzoic acid Openeye Name: 4-(phenethylcarbamothioylamino)benzoic acid CAS Name: 4-[[(phenethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(phenethylcarbamothioylamino)benzoic acid Traditional Name: 4-(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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