2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methoxypropyl)butanamide

Systemtic Name: 2-(2-bromanylbenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methoxypropyl)butanamide Openeye Name: 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methoxypropyl)butanamide CAS Name: 2-[(2-bromo-6-benzimidazolo[1,2-c]quinazolinyl)thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(3-methoxypropyl)butanamide Traditional Name: 2-[(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)thio]-N-(3-methoxypropyl)butyramide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCCOC)SC1=NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N31

Isomeric SMILES

CCC(C(=O)NCCCOC)SC1=NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N31

InChI

InChI=1S/C22H23BrN4O2S/c1-3-19(21(28)24-11-6-12-29-2)30-22-26-16-10-9-14(23)13-15(16)20-25-17-7-4-5-8-18(17)27(20)22/h4-5,7-10,13,19H,3,6,11-12H2,1-2H3,(H,24,28)