ethyl 3-(2-piperidin-1-ylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(2-piperidin-1-ylethylcarbamothioylamino)benzoate Openeye Name: ethyl 3-[2-(1-piperidyl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-piperidin-1-ylethylcarbamothioylamino)benzoate Traditional Name: 3-(2-piperidinoethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCN2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCN2CCCCC2

InChI

InChI=1S/C17H25N3O2S/c1-2-22-16(21)14-7-6-8-15(13-14)19-17(23)18-9-12-20-10-4-3-5-11-20/h6-8,13H,2-5,9-12H2,1H3,(H2,18,19,23)