3-(1,3-benzothiazol-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3OS/c1-23-14-7-10-17(23)18-9-3-2-6-15-24(18)21(25)13-12-20-22-16-8-4-5-11-19(16)26-20/h4-5,7-8,10-11,14,18H,2-3,6,9,12-13,15H2,1H3