N-butan-2-yl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butan-2-yl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-methyl-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butan-2-yl-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butan-2-yl-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-methyl-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C

InChI

InChI=1S/C19H20N2OS/c1-4-12(2)20-19(22)14-9-10-18-16(11-14)21-13(3)15-7-5-6-8-17(15)23-18/h5-12H,4H2,1-3H3,(H,20,22)