2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3OS2/c1-22-12-7-10-16(22)17-9-3-2-6-13-23(17)19(24)14-25-20-21-15-8-4-5-11-18(15)26-20/h4-5,7-8,10-12,17H,2-3,6,9,13-14H2,1H3