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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

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