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

Systemtic Name: ethyl 3-[[3-(diethylcarbamoyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[3-[diethylamino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[3-(diethylcarbamoyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-4-22(5-2)18(24)16-10-8-12-23(14-16)20(27)21-17-11-7-9-15(13-17)19(25)26-6-3/h7,9,11,13,16H,4-6,8,10,12,14H2,1-3H3,(H,21,27)