2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-cyclohexyl-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-cyclohexyl-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C29H27N5O2S MolecularWeight: 509.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C29H27N5O2S/c35-27(30-20-9-3-1-4-10-20)19-15-16-22-25(17-19)33-29(34(28(22)36)21-11-5-2-6-12-21)37-18-26-31-23-13-7-8-14-24(23)32-26/h2,5-8,11-17,20H,1,3-4,9-10,18H2,(H,30,35)(H,31,32)