N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

InChI

InChI=1S/C21H20N4O2S/c1-13-11-14(2)25(24-13)18-6-4-3-5-16(18)23-21(27)15-7-8-19-17(12-15)22-20(26)9-10-28-19/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)