3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]propionamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-15-18(16(2)26(25-15)17-8-4-3-5-9-17)14-23-21(27)12-13-22-24-19-10-6-7-11-20(19)28-22/h3-11H,12-14H2,1-2H3,(H,23,27)