2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-morpholino-ethanone CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-benzimidazolyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]-1-morpholino-ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c26-19(24-11-13-28-14-12-24)15-25-18-8-4-3-7-17(18)22-21(25)29-16-20(27)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-16H2