5-[4-(4-methylpiperidin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[4-(4-methylpiperidin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-(4-methyl-1-piperidyl)-4-oxo-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[4-(4-methyl-1-piperidinyl)-4-oxobutyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-keto-4-(4-methylpiperidino)butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H25N3O2S/c1-16-10-14-24(15-11-16)20(26)9-5-13-25-18-7-4-12-23-21(18)28-19-8-3-2-6-17(19)22(25)27/h2-4,6-8,12,16H,5,9-11,13-15H2,1H3