N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CCN3C(=O)CSC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CCN3C(=O)CSC4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O2S/c1-15-13-16(2)26(24-15)18-8-4-3-7-17(18)23-21(27)11-12-25-19-9-5-6-10-20(19)29-14-22(25)28/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)