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

Systemtic Name: 6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

InChI

InChI=1S/C24H28N4O2S/c29-22(27-15-13-26(14-16-27)18-7-2-1-3-8-18)17-28-20-10-4-5-11-21(20)31-23-19(24(28)30)9-6-12-25-23/h4-6,9-12,18H,1-3,7-8,13-17H2