2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O2S2/c23-17(20-10-6-12-22-11-5-1-2-9-19(22)24)13-25-14-18-21-15-7-3-4-8-16(15)26-18/h3-4,7-8H,1-2,5-6,9-14H2,(H,20,23)