ethyl 4-[2-[1-(1,3-benzothiazol-6-ylcarbonyl)piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(1,3-benzothiazol-6-ylcarbonyl)piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(1,3-benzothiazole-6-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[1,3-benzothiazol-6-yl(oxo)methyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(1,3-benzothiazole-6-carbonyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C27H31N5O4S/c1-3-36-27(35)32-14-12-31(13-15-32)26(34)21-6-4-18(2)29-24(21)19-8-10-30(11-9-19)25(33)20-5-7-22-23(16-20)37-17-28-22/h4-7,16-17,19H,3,8-15H2,1-2H3