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

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-(2-phenylsulfanylethylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-(2-phenylsulfanylethylcarbamoyl)propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[2-(phenylthio)ethylamino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-(2-phenylsulfanylethylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[2-(phenylthio)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NCCSC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N2O2S/c1-16(2)21(22(27)25-8-9-29-20-6-4-3-5-7-20)26-23(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h3-7,16-19,21H,8-15H2,1-2H3,(H,25,27)(H,26,28)