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

Systemtic Name: 2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[4-(carbamothioylamino)benzoyl]-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[[4-(carbamothioylamino)phenyl]-oxomethyl]-4-piperidinyl]-N-[3-(1-imidazolyl)propyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-6-methyl-2-[1-(4-thioureidobenzoyl)-4-piperidyl]nicotinamide Formula: C26H31N7O2S MolecularWeight: 505.63504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

InChI

InChI=1S/C26H31N7O2S/c1-18-3-8-22(24(34)29-11-2-13-32-16-12-28-17-32)23(30-18)19-9-14-33(15-10-19)25(35)20-4-6-21(7-5-20)31-26(27)36/h3-8,12,16-17,19H,2,9-11,13-15H2,1H3,(H,29,34)(H3,27,31,36)