2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[1-(1H-benzimidazol-2-yl)ethylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[1-(1H-benzimidazol-2-yl)ethylthio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21N3O3S/c1-13(20-22-15-5-2-3-6-16(15)23-20)27-12-19(24)21-14-7-8-17-18(11-14)26-10-4-9-25-17/h2-3,5-8,11,13H,4,9-10,12H2,1H3,(H,21,24)(H,22,23)