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

Systemtic Name: 6-chloranyl-N'-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: N'-benzyl-6-chloro-benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: 6-chloro-N'-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: N'-benzyl-6-chlorobenzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: N'-benzyl-6-chloro-benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3OS/c22-20-16-8-4-5-9-18(16)27-19-11-10-15(12-17(19)24-20)21(26)25-23-13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H,25,26)