2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C25H19N5OS MolecularWeight: 437.51626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42

InChI

InChI=1S/C25H19N5OS/c26-15-8-16-29(18-9-2-1-3-10-18)23(31)17-32-25-28-20-12-5-4-11-19(20)24-27-21-13-6-7-14-22(21)30(24)25/h1-7,9-14H,8,16-17H2