N-(2-cyclohexylpyrazol-3-yl)-2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-cyclohexylpyrazol-3-yl)-2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(2-cyclohexylpyrazol-3-yl)-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(2-cyclohexyl-3-pyrazolyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(2-cyclohexylpyrazol-3-yl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(2-cyclohexylpyrazol-3-yl)-2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCCCC3

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=NN2C3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-28-14-13-22-20(26)15-29-18-10-6-5-9-17(18)21(27)24-19-11-12-23-25(19)16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3,(H,22,26)(H,24,27)