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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(2-ketoazepan-1-yl)propyl]acetamide Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O2S2/c22-16(13-24-18-20-14-7-3-4-8-15(14)25-18)19-10-6-12-21-11-5-1-2-9-17(21)23/h3-4,7-8H,1-2,5-6,9-13H2,(H,19,22)