methyl 2-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[3-[diethylamino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H27N3O3S/c1-4-21(5-2)17(23)14-9-8-12-22(13-14)19(26)20-16-11-7-6-10-15(16)18(24)25-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,20,26)