2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O3S/c21-8-3-9-24(14-6-7-17-18(12-14)27-11-10-26-17)19(25)13-28-20-22-15-4-1-2-5-16(15)23-20/h1-2,4-7,12H,3,9-11,13H2,(H,22,23)