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

Systemtic Name: 3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(4-methoxybenzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(4-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 2-methyl-3-(p-anisoylthiocarbamoylamino)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=C(C=C2)OC)C(=O)O

Isomeric SMILES

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

InChI

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