N-cyclooctyl-5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclooctyl-5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclooctyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclooctyl-5-[(2,5-dimethylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclooctyl-5-(2,5-dimethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCCCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C31H34N2O2S/c1-21-14-15-22(2)24(18-21)20-33-27-19-23(30(34)32-25-10-6-4-3-5-7-11-25)16-17-29(27)36-28-13-9-8-12-26(28)31(33)35/h8-9,12-19,25H,3-7,10-11,20H2,1-2H3,(H,32,34)