4-(2-dimethylaminoethylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(2-dimethylaminoethylcarbamothioylamino)benzoic acid Openeye Name: 4-(2-dimethylaminoethylcarbamothioylamino)benzoic acid CAS Name: 4-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(2-dimethylaminoethylcarbamothioylamino)benzoic acid Traditional Name: 4-(2-dimethylaminoethylthiocarbamoylamino)benzoic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-15(2)8-7-13-12(18)14-10-5-3-9(4-6-10)11(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)(H2,13,14,18)