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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(1-methylpyrazol-3-yl)benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O2S/c1-27-7-6-20(26-27)24-22(29)18-4-2-3-5-19(18)30-14-21(28)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-7,15-17H,8-14H2,1H3,(H,25,28)(H,24,26,29)