8-chloranyl-6-ethyl-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-ethyl-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-8-chloro-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-8-chloro-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-8-chloro-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19ClN2OS MolecularWeight: 406.92776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2OS/c1-2-19-18-13-17(24)9-11-21(18)28-22-10-8-16(12-20(22)26-19)23(27)25-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,25,27)