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

Systemtic Name: N-cyclopropyl-6-oxidanylidene-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-cyclopropyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopropyl-6-oxo-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopropyl-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-cyclopropyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NC3CC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NC3CC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C20H18N2O2S/c1-2-11-22-16-12-13(19(23)21-14-8-9-14)7-10-18(16)25-17-6-4-3-5-15(17)20(22)24/h2-7,10,12,14H,1,8-9,11H2,(H,21,23)