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

Systemtic Name: N-(2-methylcyclohexyl)-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-(2-methylcyclohexyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methylcyclohexyl)-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-(2-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C24H26N2O2S/c1-3-14-26-20-15-17(23(27)25-19-10-6-4-8-16(19)2)12-13-22(20)29-21-11-7-5-9-18(21)24(26)28/h3,5,7,9,11-13,15-16,19H,1,4,6,8,10,14H2,2H3,(H,25,27)