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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-methoxy-5-methylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-10-3-8-14(21-2)13(9-10)18-16(22)17-12-6-4-11(5-7-12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,22)