1-(azepan-1-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(6-benzimidazolo[1,2-c]quinazolinylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

InChI

InChI=1S/C22H22N4OS/c27-20(25-13-7-1-2-8-14-25)15-28-22-24-17-10-4-3-9-16(17)21-23-18-11-5-6-12-19(18)26(21)22/h3-6,9-12H,1-2,7-8,13-15H2