3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[4-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H22N4O2S/c27-21(10-13-26-19-4-1-2-5-20(19)29-16-22(26)28)23-14-17-6-8-18(9-7-17)15-25-12-3-11-24-25/h1-9,11-12H,10,13-16H2,(H,23,27)