N-(pyridin-2-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(pyridin-2-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-pyridylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-(2-pyridinylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(pyridin-2-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-pyridylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H25N5OS/c28-21(25-14-17-5-3-4-12-23-17)16-10-8-15(9-11-16)13-24-20-18-6-1-2-7-19(18)26-22(29)27-20/h1-7,12,15-16H,8-11,13-14H2,(H,25,28)(H2,24,26,27,29)