2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(2-ketoazepan-1-yl)propyl]benzamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3O2S2/c28-22-13-2-1-7-15-27(22)16-8-14-25-23(29)19-10-4-3-9-18(19)17-30-24-26-20-11-5-6-12-21(20)31-24/h3-6,9-12H,1-2,7-8,13-17H2,(H,25,29)