3-[(4-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(4-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(4-ethylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-ethylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H18N2O2S/c1-3-12-5-8-14(9-6-12)18-17(22)19-15-10-13(16(20)21)7-4-11(15)2/h4-10H,3H2,1-2H3,(H,20,21)(H2,18,19,22)