N-[(5-methylfuran-2-yl)methyl]-6-(6-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-6-(6-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-6-(6-methyl-2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-6-(6-methyl-2-pyridinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-6-(6-methylpyridin-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-6-(6-methyl-2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(O4)C)SC5=CC=CC=C52

Isomeric SMILES

CC1=CC=CC(=N1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(O4)C)SC5=CC=CC=C52

InChI

InChI=1S/C26H21N3O2S/c1-16-6-5-8-21(28-16)25-20-7-3-4-9-23(20)32-24-13-11-18(14-22(24)29-25)26(30)27-15-19-12-10-17(2)31-19/h3-14H,15H2,1-2H3,(H,27,30)