2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-N-[4-(1-imidazolyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[(2-ethyl-6-methylphenyl)carbamothioyl]piperidin-4-yl]-N-(4-imidazol-1-ylphenyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-N-(4-imidazol-1-ylphenyl)-6-methyl-nicotinamide Formula: C31H34N6OS MolecularWeight: 538.70626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)NC4=CC=C(C=C4)N5C=CN=C5)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)NC4=CC=C(C=C4)N5C=CN=C5)C

InChI

InChI=1S/C31H34N6OS/c1-4-23-7-5-6-21(2)28(23)35-31(39)36-17-14-24(15-18-36)29-27(13-8-22(3)33-29)30(38)34-25-9-11-26(12-10-25)37-19-16-32-20-37/h5-13,16,19-20,24H,4,14-15,17-18H2,1-3H3,(H,34,38)(H,35,39)