4-(2,5-dimethylphenyl)-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)-N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)-N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)SC5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)SC5=CC=CC=C5C1=O

InChI

InChI=1S/C28H30N4O2S/c1-4-32-24-18-21(11-12-26(24)35-25-8-6-5-7-22(25)27(32)33)29-28(34)31-15-13-30(14-16-31)23-17-19(2)9-10-20(23)3/h5-12,17-18H,4,13-16H2,1-3H3,(H,29,34)