2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1,2-benzothiazol-3-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-1,2-benzothiazol-3-one CAS Name: 2-[1-(1-azepanyl)-1-oxopropan-2-yl]-1,2-benzothiazol-3-one IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1,2-benzothiazol-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-1,2-benzothiazol-3-one Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C16H20N2O2S/c1-12(15(19)17-10-6-2-3-7-11-17)18-16(20)13-8-4-5-9-14(13)21-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3