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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CN3C4=C(N=CC=C4)SC5=CC=CC=C5C3=O

InChI

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