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

Systemtic Name: ethyl 3-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[3-[[(2-ethoxyphenyl)methylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[3-[(2-ethoxybenzyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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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)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4S/c1-5-35-24-10-8-7-9-22(24)18-29-27(34)23-12-11-19(3)30-26(23)21-13-15-32(16-14-21)28(37)31-20(4)17-25(33)36-6-2/h7-12,20-21H,5-6,13-18H2,1-4H3,(H,29,34)(H,31,37)