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

Systemtic Name: 3-[(3-methoxyphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-methoxybenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-(m-anisoylthiocarbamoylamino)-4-methyl-benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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