1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]-1,4-diazepan-1-yl]ethanone Formula: C17H23N3O3S3 MolecularWeight: 413.57782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3O3S3/c1-14(21)19-8-4-9-20(11-10-19)26(22,23)13-5-12-24-17-18-15-6-2-3-7-16(15)25-17/h2-3,6-7H,4-5,8-13H2,1H3