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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-[2-(4-chlorophenyl)ethyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-[2-(4-chlorophenyl)ethyl]-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C25H21ClN2O2S/c1-2-15-28-21-16-18(24(29)27-14-13-17-7-10-19(26)11-8-17)9-12-23(21)31-22-6-4-3-5-20(22)25(28)30/h2-12,16H,1,13-15H2,(H,27,29)