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

Systemtic Name: 6-oxidanylidene-N-(phenylmethyl)-5-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-allyl-N-benzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(phenylmethyl)-5-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-6-oxo-5-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-allyl-N-benzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20N2O2S MolecularWeight: 400.4928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H20N2O2S/c1-2-14-26-20-15-18(23(27)25-16-17-8-4-3-5-9-17)12-13-22(20)29-21-11-7-6-10-19(21)24(26)28/h2-13,15H,1,14,16H2,(H,25,27)