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

Systemtic Name: ethyl 2-[[4-[6-methyl-3-(1,3-thiazolidin-3-ylcarbonyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[6-methyl-3-(thiazolidine-3-carbonyl)-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[6-methyl-3-[oxo(3-thiazolidinyl)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[6-methyl-3-(thiazolidine-3-carbonyl)-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C21H30N4O3S2 MolecularWeight: 450.6179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S2/c1-4-28-20(27)15(3)23-21(29)24-9-7-16(8-10-24)18-17(6-5-14(2)22-18)19(26)25-11-12-30-13-25/h5-6,15-16H,4,7-13H2,1-3H3,(H,23,29)