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

Systemtic Name: ethyl 3-[[4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[6-methyl-3-(3-pyridylmethylcarbamoyl)-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C25H33N5O3S MolecularWeight: 483.62622

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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)NCC3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O3S/c1-4-33-22(31)14-18(3)29-25(34)30-12-9-20(10-13-30)23-21(8-7-17(2)28-23)24(32)27-16-19-6-5-11-26-15-19/h5-8,11,15,18,20H,4,9-10,12-14,16H2,1-3H3,(H,27,32)(H,29,34)