N-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H22N2O2S/c25-21(23-13-12-15-6-2-1-3-7-15)16-10-11-20-18(14-16)24-22(26)17-8-4-5-9-19(17)27-20/h4-6,8-11,14H,1-3,7,12-13H2,(H,23,25)(H,24,26)