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

Systemtic Name: N-butyl-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6,8-dimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6,8-dimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2OS/c1-4-5-10-21-20(23)15-7-9-19-17(12-15)22-14(3)16-11-13(2)6-8-18(16)24-19/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,23)