ethyl 2-[[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 2-[[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[6-methyl-3-[2-(2-thienyl)ethylcarbamoyl]-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[6-methyl-3-[oxo-(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[6-methyl-3-[2-(2-thienyl)ethylcarbamoyl]-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C24H32N4O3S2 MolecularWeight: 488.66588

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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)NCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C24H32N4O3S2/c1-4-31-23(30)17(3)27-24(32)28-13-10-18(11-14-28)21-20(8-7-16(2)26-21)22(29)25-12-9-19-6-5-15-33-19/h5-8,15,17-18H,4,9-14H2,1-3H3,(H,25,29)(H,27,32)