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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S/c1-2-15(14-8-9-18-19(12-14)27-11-5-10-26-18)22-20(25)13-28-21-23-16-6-3-4-7-17(16)24-21/h3-4,6-9,12,15H,2,5,10-11,13H2,1H3,(H,22,25)(H,23,24)