1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1,3-benzothiazole-6-carbonyl)piperazino]ethanone Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H26N4O2S/c25-19(23-7-3-1-2-4-8-23)14-22-9-11-24(12-10-22)20(26)16-5-6-17-18(13-16)27-15-21-17/h5-6,13,15H,1-4,7-12,14H2