methyl N-[2-(4-oxidanylidene-4-piperidin-1-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]carbamate

Systemtic Name: methyl N-[2-(4-oxidanylidene-4-piperidin-1-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]carbamate Openeye Name: methyl N-[2-[4-oxo-4-(1-piperidyl)-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]carbamate CAS Name: N-[2-[[4-oxo-2-[oxo(3-pyridinyl)methyl]-4-(1-piperidinyl)butyl]thio]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]carbamate Traditional Name: N-[2-[(4-keto-2-nicotinoyl-4-piperidino-butyl)thio]ethyl]carbamic acid methyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCCSCC(CC(=O)N1CCCCC1)C(=O)C2=CN=CC=C2

Isomeric SMILES

COC(=O)NCCSCC(CC(=O)N1CCCCC1)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H27N3O4S/c1-26-19(25)21-8-11-27-14-16(18(24)15-6-5-7-20-13-15)12-17(23)22-9-3-2-4-10-22/h5-7,13,16H,2-4,8-12,14H2,1H3,(H,21,25)