3-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(pyrazol-1-ylmethyl)benzyl]propionamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2)CN4C=CC=N4

InChI

InChI=1S/C21H20N4OS/c26-20(10-11-21-24-18-8-3-4-9-19(18)27-21)22-14-16-6-1-2-7-17(16)15-25-13-5-12-23-25/h1-9,12-13H,10-11,14-15H2,(H,22,26)