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

Systemtic Name: ethyl N-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylcarbamate Openeye Name: ethyl N-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]carbamate CAS Name: N-[[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidine-1-carbothioyl]carbamate Traditional Name: N-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidine-1-carbothioyl]carbamic acid ethyl ester Formula: C22H30N6O3S MolecularWeight: 458.577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3S/c1-3-31-22(30)26-21(32)28-12-7-17(8-13-28)19-18(6-5-16(2)25-19)20(29)24-9-4-11-27-14-10-23-15-27/h5-6,10,14-15,17H,3-4,7-9,11-13H2,1-2H3,(H,24,29)(H,26,30,32)