4-[dimethylamino(phenylcarbamothioyl)amino]pentanoate

Systemtic Name: 4-[dimethylamino(phenylcarbamothioyl)amino]pentanoate Openeye Name: 4-[dimethylamino(phenylcarbamothioyl)amino]pentanoate CAS Name: 4-[[anilino(sulfanylidene)methyl]-(dimethylamino)amino]pentanoate IUPAC Name: 4-[dimethylamino(phenylcarbamothioyl)amino]pentanoate Traditional Name: 4-[dimethylamino(phenylthiocarbamoyl)amino]valerate Formula: C14H20N3O2S- MolecularWeight: 294.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])N(C(=S)NC1=CC=CC=C1)N(C)C

Isomeric SMILES

CC(CCC(=O)[O-])N(C(=S)NC1=CC=CC=C1)N(C)C

InChI

InChI=1S/C14H21N3O2S/c1-11(9-10-13(18)19)17(16(2)3)14(20)15-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,15,20)(H,18,19)/p-1