N-[[3-[(pyridin-3-ylcarbonylamino)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[3-[(pyridin-3-ylcarbonylamino)methyl]-2-sulfanylidene-benzimidazol-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-[(pyridine-3-carbonylamino)methyl]-2-thioxo-benzimidazol-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-[[[oxo(3-pyridinyl)methyl]amino]methyl]-2-sulfanylidene-1-benzimidazolyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-[(pyridine-3-carbonylamino)methyl]-2-sulfanylidenebenzimidazol-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[3-(nicotinamidomethyl)-2-thioxo-benzimidazol-1-yl]methyl]nicotinamide Formula: C21H18N6O2S MolecularWeight: 418.47162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)N2CNC(=O)C3=CN=CC=C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)N2CNC(=O)C3=CN=CC=C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H18N6O2S/c28-19(15-5-3-9-22-11-15)24-13-26-17-7-1-2-8-18(17)27(21(26)30)14-25-20(29)16-6-4-10-23-12-16/h1-12H,13-14H2,(H,24,28)(H,25,29)