6-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(4-chlorophenyl)-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(4-chlorophenyl)-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(4-chlorophenyl)-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H21ClN2O2S/c26-18-10-7-16(8-11-18)24-20-5-1-2-6-22(20)31-23-12-9-17(14-21(23)28-24)25(29)27-15-19-4-3-13-30-19/h1-2,5-12,14,19H,3-4,13,15H2,(H,27,29)