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

Systemtic Name: ethyl 4-[6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-(tetrahydrofuran-2-ylmethylcarbamothioyl)-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-(tetrahydrofurfurylthiocarbamoyl)-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H37N5O4S MolecularWeight: 503.65738

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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)NCC4CCCO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=S)NCC4CCCO4

InChI

InChI=1S/C25H37N5O4S/c1-3-33-25(32)30-14-12-28(13-15-30)23(31)21-7-6-18(2)27-22(21)19-8-10-29(11-9-19)24(35)26-17-20-5-4-16-34-20/h6-7,19-20H,3-5,8-17H2,1-2H3,(H,26,35)