ethyl 4-[2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(4-methoxyphenyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(4-methoxyanilino)-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(4-methoxyphenyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H35N5O4S MolecularWeight: 525.6629

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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(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N5O4S/c1-4-36-27(34)32-17-15-30(16-18-32)25(33)23-10-5-19(2)28-24(23)20-11-13-31(14-12-20)26(37)29-21-6-8-22(35-3)9-7-21/h5-10,20H,4,11-18H2,1-3H3,(H,29,37)