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

Systemtic Name: 4-methoxy-3-[(2-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[(2-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-(o-anisoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C17H16N2O5S/c1-23-13-6-4-3-5-11(13)15(20)19-17(25)18-12-9-10(16(21)22)7-8-14(12)24-2/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,25)