3-(4-cyclohexylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-cyclohexylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-cyclohexylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C24H27N3O2S/c28-23-19-8-4-5-9-21(19)30-22-11-10-17(16-20(22)25-23)24(29)27-14-12-26(13-15-27)18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,25,28)