ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-thiadiazinan-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-thiadiazinan-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(3-pyridylmethyl)-2-thioxo-1,3,5-thiadiazinan-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-(3-pyridinylmethyl)-2-sulfanylidene-1,3,5-thiadiazinan-3-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3,5-thiadiazinan-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(3-pyridylmethyl)-2-thioxo-1,3,5-thiadiazinan-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C17H24N4O2S2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CN(CSC2=S)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CN(CSC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C17H24N4O2S2/c1-2-23-16(22)20-8-5-15(6-9-20)21-12-19(13-25-17(21)24)11-14-4-3-7-18-10-14/h3-4,7,10,15H,2,5-6,8-9,11-13H2,1H3