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

Systemtic Name: 8-chloranyl-6-ethyl-N-methyl-N-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-8-chloro-6-ethyl-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-methyl-N-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-benzyl-8-chloro-6-ethyl-N-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-8-chloro-6-ethyl-N-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)N(C)CC3=CC=CC=C3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2OS/c1-3-20-19-14-18(25)10-12-22(19)29-23-11-9-17(13-21(23)26-20)24(28)27(2)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3