1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-4-(1,3-benzothiazol-2-yl)butan-1-one CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-4-(1,3-benzothiazol-2-yl)butan-1-one Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N3O2S/c27-22(11-7-10-21-24-19-8-3-4-9-20(19)29-21)25-16-12-18(13-17-25)23(28)26-14-5-1-2-6-15-26/h3-4,8-9,18H,1-2,5-7,10-17H2