N-(1H-imidazol-5-ylmethyl)-N-[4-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-(1H-imidazol-5-ylmethyl)-N-[4-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]phenyl]cyclohexanecarboxamide Openeye Name: N-(1H-imidazol-5-ylmethyl)-N-[4-[1-(isobutylcarbamothioyl)-4-piperidyl]phenyl]cyclohexanecarboxamide CAS Name: N-(1H-imidazol-5-ylmethyl)-N-[4-[1-[(2-methylpropylamino)-sulfanylidenemethyl]-4-piperidinyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-(1H-imidazol-5-ylmethyl)-N-[4-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]phenyl]cyclohexanecarboxamide Traditional Name: N-(1H-imidazol-5-ylmethyl)-N-[4-[1-(isobutylthiocarbamoyl)-4-piperidyl]phenyl]cyclohexanecarboxamide Formula: C27H39N5OS MolecularWeight: 481.69646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCC(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)CNC(=S)N1CCC(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H39N5OS/c1-20(2)16-29-27(34)31-14-12-22(13-15-31)21-8-10-25(11-9-21)32(18-24-17-28-19-30-24)26(33)23-6-4-3-5-7-23/h8-11,17,19-20,22-23H,3-7,12-16,18H2,1-2H3,(H,28,30)(H,29,34)