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

Systemtic Name: ethyl 3-[[4-[6-methyl-3-(1,3-thiazolidin-3-ylcarbonyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[6-methyl-3-(thiazolidine-3-carbonyl)-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[6-methyl-3-[oxo(3-thiazolidinyl)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[6-methyl-3-(thiazolidine-3-carbonyl)-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C22H32N4O3S2 MolecularWeight: 464.64448

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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)N3CCSC3

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)N3CCSC3

InChI

InChI=1S/C22H32N4O3S2/c1-4-29-19(27)13-16(3)24-22(30)25-9-7-17(8-10-25)20-18(6-5-15(2)23-20)21(28)26-11-12-31-14-26/h5-6,16-17H,4,7-14H2,1-3H3,(H,24,30)