3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-10-7-8-12(17(22)23)9-14(10)19-18(25)20-16(21)13-6-4-5-11(2)15(13)24-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,25)