2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3(CCCCC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3(CCCCC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H30N4O2S/c1-19-25(26(33)31(30(19)2)20-11-5-3-6-12-20)29-23(32)17-27(15-9-4-10-16-27)18-24-28-21-13-7-8-14-22(21)34-24/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3,(H,29,32)