3-[3-(dimethylamino)propylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[3-(dimethylamino)propylcarbamothioylamino]benzoic acid Openeye Name: 3-[3-(dimethylamino)propylcarbamothioylamino]benzoic acid CAS Name: 3-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[3-(dimethylamino)propylcarbamothioylamino]benzoic acid Traditional Name: 3-[3-(dimethylamino)propylthiocarbamoylamino]benzoic acid Formula: C13H19N3O2S MolecularWeight: 281.37386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CN(C)CCCNC(=S)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H19N3O2S/c1-16(2)8-4-7-14-13(19)15-11-6-3-5-10(9-11)12(17)18/h3,5-6,9H,4,7-8H2,1-2H3,(H,17,18)(H2,14,15,19)