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

Systemtic Name: ethyl 2-[[4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C24H31N5O3S MolecularWeight: 469.59964

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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)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C24H31N5O3S/c1-4-32-23(31)17(3)28-24(33)29-12-9-19(10-13-29)21-20(8-7-16(2)27-21)22(30)26-15-18-6-5-11-25-14-18/h5-8,11,14,17,19H,4,9-10,12-13,15H2,1-3H3,(H,26,30)(H,28,33)