N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(tetrahydrofuran-2-ylmethylcarbamothioyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[4-(1-imidazolyl)phenyl]-6-methyl-2-[1-[(2-oxolanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(oxolan-2-ylmethylcarbamothioyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(tetrahydrofurfurylthiocarbamoyl)-4-piperidyl]nicotinamide Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCC5CCCO5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=S)NCC5CCCO5

InChI

InChI=1S/C27H32N6O2S/c1-19-4-9-24(26(34)31-21-5-7-22(8-6-21)33-15-12-28-18-33)25(30-19)20-10-13-32(14-11-20)27(36)29-17-23-3-2-16-35-23/h4-9,12,15,18,20,23H,2-3,10-11,13-14,16-17H2,1H3,(H,29,36)(H,31,34)