4-[(1-phenylethylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(1-phenylethylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(1-phenylethylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(1-phenylethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(1-phenylethylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(1-phenylethylthiocarbamoylamino)methyl]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O2S/c1-12(14-5-3-2-4-6-14)19-17(22)18-11-13-7-9-15(10-8-13)16(20)21/h2-10,12H,11H2,1H3,(H,20,21)(H2,18,19,22)