1-(azepan-1-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanone CAS Name: 1-(1-azepanyl)-2-(1H-perimidin-2-ylthio)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1H-perimidin-2-ylsulfanyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(1H-perimidin-2-ylthio)ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C19H21N3OS/c23-17(22-11-3-1-2-4-12-22)13-24-19-20-15-9-5-7-14-8-6-10-16(21-19)18(14)15/h5-10H,1-4,11-13H2,(H,20,21)