6-[4-[2-(azepan-1-yl)ethyl-methyl-amino]butyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-[4-[2-(azepan-1-yl)ethyl-methyl-amino]butyl]-3H-1,3-benzothiazol-2-one Openeye Name: 6-[4-[2-(azepan-1-yl)ethyl-methyl-amino]butyl]-3H-1,3-benzothiazol-2-one CAS Name: 6-[4-[2-(1-azepanyl)ethyl-methylamino]butyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-[4-[2-(azepan-1-yl)ethyl-methylamino]butyl]-3H-1,3-benzothiazol-2-one Traditional Name: 6-[4-[2-(azepan-1-yl)ethyl-methyl-amino]butyl]-3H-1,3-benzothiazol-2-one Formula: C20H31N3OS MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC2=C(C=C1)NC(=O)S2)CCN3CCCCCC3

Isomeric SMILES

CN(CCCCC1=CC2=C(C=C1)NC(=O)S2)CCN3CCCCCC3

InChI

InChI=1S/C20H31N3OS/c1-22(14-15-23-12-5-2-3-6-13-23)11-7-4-8-17-9-10-18-19(16-17)25-20(24)21-18/h9-10,16H,2-8,11-15H2,1H3,(H,21,24)