6-[(4-dimethylaminophenyl)carbothioylamino]hexanoic acid

Systemtic Name: 6-[(4-dimethylaminophenyl)carbothioylamino]hexanoic acid Openeye Name: 6-[[4-(dimethylamino)benzenecarbothioyl]amino]hexanoic acid CAS Name: 6-[[(4-dimethylaminophenyl)-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 6-[[4-(dimethylamino)benzenecarbothioyl]amino]hexanoic acid Traditional Name: 6-[[4-(dimethylamino)thiobenzoyl]amino]hexanoic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=S)NCCCCCC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=S)NCCCCCC(=O)O

InChI

InChI=1S/C15H22N2O2S/c1-17(2)13-9-7-12(8-10-13)15(20)16-11-5-3-4-6-14(18)19/h7-10H,3-6,11H2,1-2H3,(H,16,20)(H,18,19)