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

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-6-pyridin-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-6-(2-pyridinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-6-pyridin-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=CC=N5

InChI

InChI=1S/C25H19N3O2S/c1-16-9-11-18(30-16)15-27-25(29)17-10-12-23-21(14-17)28-24(20-7-4-5-13-26-20)19-6-2-3-8-22(19)31-23/h2-14H,15H2,1H3,(H,27,29)