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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C25H28N2O2S/c1-4-14-27-21-15-18(24(28)26-20-10-7-8-16(2)17(20)3)12-13-23(21)30-22-11-6-5-9-19(22)25(27)29/h4-6,9,11-13,15-17,20H,1,7-8,10,14H2,2-3H3,(H,26,28)