N-cyclooctyl-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cyclooctyl-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-cyclooctyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclooctyl-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclooctyl-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-cyclooctyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H28N2O2S/c1-2-16-27-21-17-18(24(28)26-19-10-6-4-3-5-7-11-19)14-15-23(21)30-22-13-9-8-12-20(22)25(27)29/h2,8-9,12-15,17,19H,1,3-7,10-11,16H2,(H,26,28)