2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C28H34N4O2S/c1-20-25(21(2)32(31-20)23-13-7-4-8-14-23)18-30-28(34)24-15-9-10-16-26(24)35-19-27(33)29-17-22-11-5-3-6-12-22/h4,7-10,13-16,22H,3,5-6,11-12,17-19H2,1-2H3,(H,29,33)(H,30,34)