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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-propylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-propylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-propyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-propylbenzimidazol-2-yl)thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

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