2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[4-(carbamothioylamino)benzoyl]-4-piperidyl]-N-[(2-ethoxyphenyl)methyl]-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[[4-(carbamothioylamino)phenyl]-oxomethyl]-4-piperidinyl]-N-[(2-ethoxyphenyl)methyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-6-methyl-2-[1-(4-thioureidobenzoyl)-4-piperidyl]nicotinamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

InChI

InChI=1S/C29H33N5O3S/c1-3-37-25-7-5-4-6-22(25)18-31-27(35)24-13-8-19(2)32-26(24)20-14-16-34(17-15-20)28(36)21-9-11-23(12-10-21)33-29(30)38/h4-13,20H,3,14-18H2,1-2H3,(H,31,35)(H3,30,33,38)