N-[4-azanyl-2-(1-azanyl-3-methyl-3-sulfanyl-butyl)-6-methyl-6-sulfanyl-heptyl]pyridine-3-carboxamide

Systemtic Name: N-[4-azanyl-2-(1-azanyl-3-methyl-3-sulfanyl-butyl)-6-methyl-6-sulfanyl-heptyl]pyridine-3-carboxamide Openeye Name: N-[4-amino-2-(1-amino-3-methyl-3-sulfanyl-butyl)-6-methyl-6-sulfanyl-heptyl]pyridine-3-carboxamide CAS Name: N-[4-amino-2-(1-amino-3-mercapto-3-methylbutyl)-6-mercapto-6-methylheptyl]-3-pyridinecarboxamide IUPAC Name: N-[4-amino-2-(1-amino-3-methyl-3-sulfanylbutyl)-6-methyl-6-sulfanylheptyl]pyridine-3-carboxamide Traditional Name: N-[4-amino-2-(1-amino-3-mercapto-3-methyl-butyl)-6-mercapto-6-methyl-heptyl]nicotinamide Formula: C19H34N4OS2 MolecularWeight: 398.62946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC(CNC(=O)C1=CN=CC=C1)C(CC(C)(C)S)N)N)S

Isomeric SMILES

CC(C)(CC(CC(CNC(=O)C1=CN=CC=C1)C(CC(C)(C)S)N)N)S

InChI

InChI=1S/C19H34N4OS2/c1-18(2,25)9-15(20)8-14(16(21)10-19(3,4)26)12-23-17(24)13-6-5-7-22-11-13/h5-7,11,14-16,25-26H,8-10,12,20-21H2,1-4H3,(H,23,24)