(E)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-benzylpyrazol-4-yl)-N-methyl-prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-benzylpyrazol-4-yl)-N-methylprop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(1-benzylpyrazol-4-yl)-N-methyl-acrylamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-25(16-21-24-19-9-5-6-10-20(19)28-21)22(27)12-11-18-13-23-26(15-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3/b12-11+