N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O2S/c1-24(2)17(13-4-3-5-15(21)10-13)12-22-20(26)14-6-7-18-16(11-14)23-19(25)8-9-27-18/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,22,26)(H,23,25)