6-[2-[2-(azepan-1-yl)ethyl-methyl-amino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-[2-[2-(azepan-1-yl)ethyl-methyl-amino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 6-[2-[2-(azepan-1-yl)ethyl-methyl-amino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 6-[2-[2-(1-azepanyl)ethyl-methylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-[2-[2-(azepan-1-yl)ethyl-methylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 6-[2-[2-(azepan-1-yl)ethyl-methyl-amino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C=C1)NC(=O)S2)CCN3CCCCCC3

Isomeric SMILES

CN(CCC1=CC2=C(C=C1)NC(=O)S2)CCN3CCCCCC3

InChI

InChI=1S/C18H27N3OS/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16-17(14-15)23-18(22)19-16/h6-7,14H,2-5,8-13H2,1H3,(H,19,22)