methyl 4-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-[diethylamino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H27N3O3S/c1-4-21(5-2)17(23)15-7-6-12-22(13-15)19(26)20-16-10-8-14(9-11-16)18(24)25-3/h8-11,15H,4-7,12-13H2,1-3H3,(H,20,26)