8-bromanyl-N-butyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-butyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-butyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-butyl-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-butyl-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-butyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C19H19BrN2OS MolecularWeight: 403.33596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Br)C(=N2)C

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Br)C(=N2)C

InChI

InChI=1S/C19H19BrN2OS/c1-3-4-9-21-19(23)13-5-7-18-16(10-13)22-12(2)15-11-14(20)6-8-17(15)24-18/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23)