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

Systemtic Name: 5-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-(4-methylpiperazin-1-yl)-4-oxo-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[4-(4-methyl-1-piperazinyl)-4-oxobutyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-keto-4-(4-methylpiperazino)butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H24N4O2S/c1-23-12-14-24(15-13-23)19(26)9-5-11-25-17-7-4-10-22-20(17)28-18-8-3-2-6-16(18)21(25)27/h2-4,6-8,10H,5,9,11-15H2,1H3