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

Systemtic Name: 4-[[(3-methoxyphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3-methoxyphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(3-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3-methoxyphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3-methoxyphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-21-14-4-2-3-13(9-14)18-16(22)17-10-11-5-7-12(8-6-11)15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,22)