1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-(1,3-benzoxazol-2-ylthio)ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H27N3O3S/c25-19(15-28-21-22-17-7-3-4-8-18(17)27-21)23-13-9-16(10-14-23)20(26)24-11-5-1-2-6-12-24/h3-4,7-8,16H,1-2,5-6,9-15H2