N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-tert-butyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-tert-butyl-cyclohexane-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-tert-butyl-cyclohexanecarboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-tert-butyl-1-cyclohexanecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-tert-butylcyclohexane-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-tert-butyl-cyclohexanecarboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2CCC(CC2)C(C)(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2CCC(CC2)C(C)(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N4OS/c1-14-13-19(24-20(27)15-9-11-16(12-10-15)22(2,3)4)26(25-14)21-23-17-7-5-6-8-18(17)28-21/h5-8,13,15-16H,9-12H2,1-4H3,(H,24,27)