6-chloranyl-N'-(2-phenylethanoyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide

Systemtic Name: 6-chloranyl-N'-(2-phenylethanoyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: 6-chloro-N'-(2-phenylacetyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: 6-chloro-N'-(1-oxo-2-phenylethyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: 6-chloro-N'-(2-phenylacetyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: 6-chloro-N'-(2-phenylacetyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C22H16ClN3O2S/c23-21-16-8-4-5-9-18(16)29-19-11-10-15(13-17(19)24-21)22(28)26-25-20(27)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,25,27)(H,26,28)