1,1-dimethyl-3-[2-(4-oxidanylidene-4-piperidin-1-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]urea

Systemtic Name: 1,1-dimethyl-3-[2-(4-oxidanylidene-4-piperidin-1-yl-2-pyridin-3-ylcarbonyl-butyl)sulfanylethyl]urea Openeye Name: 1,1-dimethyl-3-[2-[4-oxo-4-(1-piperidyl)-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]urea CAS Name: 1,1-dimethyl-3-[2-[[4-oxo-2-[oxo(3-pyridinyl)methyl]-4-(1-piperidinyl)butyl]thio]ethyl]urea IUPAC Name: 1,1-dimethyl-3-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]urea Traditional Name: 3-[2-[(4-keto-2-nicotinoyl-4-piperidino-butyl)thio]ethyl]-1,1-dimethyl-urea Formula: C20H30N4O3S MolecularWeight: 406.5422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-23(2)20(27)22-9-12-28-15-17(19(26)16-7-6-8-21-14-16)13-18(25)24-10-4-3-5-11-24/h6-8,14,17H,3-5,9-13,15H2,1-2H3,(H,22,27)