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

Systemtic Name: ethyl 3-[[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[6-methyl-3-[2-(2-thienyl)ethylcarbamoyl]-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[6-methyl-3-[oxo-(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)pyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[6-methyl-3-[2-(2-thienyl)ethylcarbamoyl]-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C25H34N4O3S2 MolecularWeight: 502.69246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C25H34N4O3S2/c1-4-32-22(30)16-18(3)28-25(33)29-13-10-19(11-14-29)23-21(8-7-17(2)27-23)24(31)26-12-9-20-6-5-15-34-20/h5-8,15,18-19H,4,9-14,16H2,1-3H3,(H,26,31)(H,28,33)