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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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