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

Systemtic Name: 6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(4-fluorophenyl)-N-(2-thienylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(4-fluorophenyl)-N-(2-thenyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H17FN2OS2 MolecularWeight: 444.543683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H17FN2OS2/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/h1-14H,15H2,(H,27,29)