N-butyl-6-[[[6-(butylcarbamoyl)pyridin-2-yl]methylcarbamothioylamino]methyl]pyridine-2-carboxamide

Systemtic Name: N-butyl-6-[[[6-(butylcarbamoyl)pyridin-2-yl]methylcarbamothioylamino]methyl]pyridine-2-carboxamide Openeye Name: N-butyl-6-[[[6-(butylcarbamoyl)-2-pyridyl]methylcarbamothioylamino]methyl]pyridine-2-carboxamide CAS Name: N-butyl-6-[[[[[6-[butylamino(oxo)methyl]-2-pyridinyl]methylamino]-sulfanylidenemethyl]amino]methyl]-2-pyridinecarboxamide IUPAC Name: N-butyl-6-[[[6-(butylcarbamoyl)pyridin-2-yl]methylcarbamothioylamino]methyl]pyridine-2-carboxamide Traditional Name: N-butyl-6-[[[6-(butylcarbamoyl)-2-pyridyl]methylthiocarbamoylamino]methyl]picolinamide Formula: C23H32N6O2S MolecularWeight: 456.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC(=CC=C1)CNC(=S)NCC2=CC=CC(=N2)C(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)C1=NC(=CC=C1)CNC(=S)NCC2=CC=CC(=N2)C(=O)NCCCC

InChI

InChI=1S/C23H32N6O2S/c1-3-5-13-24-21(30)19-11-7-9-17(28-19)15-26-23(32)27-16-18-10-8-12-20(29-18)22(31)25-14-6-4-2/h7-12H,3-6,13-16H2,1-2H3,(H,24,30)(H,25,31)(H2,26,27,32)