5-[dimethylamino(phenylcarbamothioyl)amino]-2-methyl-decanoate

Systemtic Name: 5-[dimethylamino(phenylcarbamothioyl)amino]-2-methyl-decanoate Openeye Name: 5-[dimethylamino(phenylcarbamothioyl)amino]-2-methyl-decanoate CAS Name: 5-[[anilino(sulfanylidene)methyl]-(dimethylamino)amino]-2-methyldecanoate IUPAC Name: 5-[dimethylamino(phenylcarbamothioyl)amino]-2-methyldecanoate Traditional Name: 5-[dimethylamino(phenylthiocarbamoyl)amino]-2-methyl-caprate Formula: C20H32N3O2S- MolecularWeight: 378.55198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2S/c1-5-6-8-13-18(15-14-16(2)19(24)25)23(22(3)4)20(26)21-17-11-9-7-10-12-17/h7,9-12,16,18H,5-6,8,13-15H2,1-4H3,(H,21,26)(H,24,25)/p-1