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

Systemtic Name: ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[3-[[(2-ethoxyphenyl)methylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[3-[(2-ethoxybenzyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NC(C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NC(C)C(=O)OCC

InChI

InChI=1S/C27H36N4O4S/c1-5-34-23-10-8-7-9-21(23)17-28-25(32)22-12-11-18(3)29-24(22)20-13-15-31(16-14-20)27(36)30-19(4)26(33)35-6-2/h7-12,19-20H,5-6,13-17H2,1-4H3,(H,28,32)(H,30,36)