4-[[(2-methoxy-5-methyl-phenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-methoxy-5-methyl-phenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2-methoxy-5-methyl-phenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-methoxy-5-methylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O3S/c1-11-3-8-15(22-2)14(9-11)19-17(23)18-10-12-4-6-13(7-5-12)16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,23)