N-butyl-9-chloranyl-6-(2,4-dichlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-9-chloranyl-6-(2,4-dichlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-9-chloro-6-(2,4-dichlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-9-chloro-6-(2,4-dichlorophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-9-chloro-6-(2,4-dichlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-9-chloro-6-(2,4-dichlorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H19Cl3N2OS MolecularWeight: 489.84446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)Cl)C(=N2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)Cl)C(=N2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H19Cl3N2OS/c1-2-3-10-28-24(30)14-4-9-21-20(11-14)29-23(17-7-5-15(25)12-19(17)27)18-8-6-16(26)13-22(18)31-21/h4-9,11-13H,2-3,10H2,1H3,(H,28,30)