3-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-[[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]carbamothioylamino]benzoic acid CAS Name: 3-[[sulfanylidene-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]methyl]amino]benzoic acid IUPAC Name: 3-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-[[(E)-(3,4,5-trimethoxybenzylidene)amino]thiocarbamoylamino]benzoic acid Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H19N3O5S/c1-24-14-7-11(8-15(25-2)16(14)26-3)10-19-21-18(27)20-13-6-4-5-12(9-13)17(22)23/h4-10H,1-3H3,(H,22,23)(H2,20,21,27)/b19-10+