3-[(3-methoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(3-methoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(3-methoxybenzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(3-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-(m-anisoylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C17H16N2O4S/c1-10-13(16(21)22)7-4-8-14(10)18-17(24)19-15(20)11-5-3-6-12(9-11)23-2/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,24)