N-[3-methyl-1-oxidanylidene-1-[2-(phenylmethylsulfanyl)ethylamino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[2-(phenylmethylsulfanyl)ethylamino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-(2-benzylsulfanylethylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[2-(phenylmethylthio)ethylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-(benzylthio)ethylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCSCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H36N2O2S/c1-17(2)22(23(28)26-8-9-30-16-18-6-4-3-5-7-18)27-24(29)25-13-19-10-20(14-25)12-21(11-19)15-25/h3-7,17,19-22H,8-16H2,1-2H3,(H,26,28)(H,27,29)