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

Systemtic Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C24H34N6O3S MolecularWeight: 486.63016

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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)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C24H34N6O3S/c1-4-33-23(32)18(3)28-24(34)30-13-8-19(9-14-30)21-20(7-6-17(2)27-21)22(31)26-10-5-12-29-15-11-25-16-29/h6-7,11,15-16,18-19H,4-5,8-10,12-14H2,1-3H3,(H,26,31)(H,28,34)