2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(1-methylpyrazol-3-yl)benzamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C20H26N4O2S/c1-24-12-11-18(23-24)22-20(26)16-9-5-6-10-17(16)27-14-19(25)21-13-15-7-3-2-4-8-15/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,21,25)(H,22,23,26)