ethyl 2-[[4-[3-(3,6-dihydro-2H-pyridin-1-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 2-[[4-[3-(3,6-dihydro-2H-pyridin-1-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[3-[3,6-dihydro-2H-pyridin-1-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCC=CC3

Isomeric SMILES

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCC=CC3

InChI

InChI=1S/C23H32N4O3S/c1-4-30-22(29)17(3)25-23(31)27-14-10-18(11-15-27)20-19(9-8-16(2)24-20)21(28)26-12-6-5-7-13-26/h5-6,8-9,17-18H,4,7,10-15H2,1-3H3,(H,25,31)