5-ethyl-N-[(4-ethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-ethyl-N-[(4-ethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-ethyl-N-[(4-ethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-ethyl-N-[(4-ethylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-ethyl-N-[(4-ethylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-ethyl-N-(4-ethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

InChI

InChI=1S/C25H24N2O2S/c1-3-17-9-11-18(12-10-17)16-26-24(28)19-13-14-23-21(15-19)27(4-2)25(29)20-7-5-6-8-22(20)30-23/h5-15H,3-4,16H2,1-2H3,(H,26,28)