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

Systemtic Name: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxidanylidene-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Openeye Name: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxo-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one CAS Name: 5-[4-(4-cyclohexyl-1-piperazinyl)-4-oxobutyl]-6-pyrido[2,3-b][1,4]benzothiazepinone IUPAC Name: 5-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Traditional Name: 5-[4-(4-cyclohexylpiperazino)-4-keto-butyl]pyrido[2,3-b][1,4]benzothiazepin-6-one Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CCCN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CCCN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

InChI

InChI=1S/C26H32N4O2S/c31-24(29-18-16-28(17-19-29)20-8-2-1-3-9-20)13-7-15-30-22-11-6-14-27-25(22)33-23-12-5-4-10-21(23)26(30)32/h4-6,10-12,14,20H,1-3,7-9,13,15-19H2