N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-[(1-ethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1-ethylbenzimidazol-2-yl)thio]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O4S/c1-2-25-16-7-4-3-6-15(16)23-21(25)30-13-19(26)24-20(27)22-14-8-9-17-18(12-14)29-11-5-10-28-17/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H2,22,24,26,27)