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

Systemtic Name: 5-[4-(4-ethylpiperazin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-(4-ethylpiperazin-1-yl)-4-oxo-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[4-(4-ethyl-1-piperazinyl)-4-oxobutyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-(4-ethylpiperazino)-4-keto-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H26N4O2S/c1-2-24-13-15-25(16-14-24)20(27)10-6-12-26-18-8-5-11-23-21(18)29-19-9-4-3-7-17(19)22(26)28/h3-5,7-9,11H,2,6,10,12-16H2,1H3