N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methylsulfanyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methylsulfanyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-4-(methylthio)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(methylthio)benzamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C22H22N4OS2/c1-15-14-16(2)26(24-15)13-12-25(21(27)17-8-10-18(28-3)11-9-17)22-23-19-6-4-5-7-20(19)29-22/h4-11,14H,12-13H2,1-3H3