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

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[(2-ethyl-6-methylphenyl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-[1-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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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)NCC4=CC=CC=C4OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)NCC4=CC=CC=C4OCC)C

InChI

InChI=1S/C31H38N4O2S/c1-5-23-12-9-10-21(3)28(23)34-31(38)35-18-16-24(17-19-35)29-26(15-14-22(4)33-29)30(36)32-20-25-11-7-8-13-27(25)37-6-2/h7-15,24H,5-6,16-20H2,1-4H3,(H,32,36)(H,34,38)