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

Systemtic Name: 6-oxidanylidene-N-phenethyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-phenethyl-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-oxo-N-phenethyl-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O2S/c1-2-16-27-21-17-19(24(28)26-15-14-18-8-4-3-5-9-18)12-13-23(21)30-22-11-7-6-10-20(22)25(27)29/h2-13,17H,1,14-16H2,(H,26,28)