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

Systemtic Name: ethyl 3-[[4-[3-(3,6-dihydro-2H-pyridin-1-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[3-[3,6-dihydro-2H-pyridin-1-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C24H34N4O3S MolecularWeight: 458.61676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O3S/c1-4-31-21(29)16-18(3)26-24(32)28-14-10-19(11-15-28)22-20(9-8-17(2)25-22)23(30)27-12-6-5-7-13-27/h5-6,8-9,18-19H,4,7,10-16H2,1-3H3,(H,26,32)