2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(dimethylcarbamoyl)phenyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(dimethylcarbamoyl)phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[3-(dimethylcarbamoyl)phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[3-[dimethylamino(oxo)methyl]phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[3-(dimethylcarbamoyl)phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[3-(dimethylcarbamoyl)phenyl]benzamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33N3O3S/c1-31(2)27(34)21-6-5-7-22(13-21)29-26(33)23-8-3-4-9-24(23)35-17-25(32)30-28-14-18-10-19(15-28)12-20(11-18)16-28/h3-9,13,18-20H,10-12,14-17H2,1-2H3,(H,29,33)(H,30,32)