4-methoxy-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-(p-toluoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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