4-methyl-3-(1-phenylethylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(1-phenylethylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(1-phenylethylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(1-phenylethylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(1-phenylethylthiocarbamoylamino)benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-11-8-9-14(16(20)21)10-15(11)19-17(22)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,21)(H2,18,19,22)