N-butyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3C(=N2)C)C)C

InChI

InChI=1S/C21H24N2OS/c1-5-6-11-22-21(24)16-9-10-18-17(12-16)23-15(4)19-13(2)7-8-14(3)20(19)25-18/h7-10,12H,5-6,11H2,1-4H3,(H,22,24)