3-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-methoxy-5-methylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H18N2O3S/c1-10-4-7-15(22-3)14(8-10)19-17(23)18-13-9-12(16(20)21)6-5-11(13)2/h4-9H,1-3H3,(H,20,21)(H2,18,19,23)