N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[(tert-butylcarbamothioylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[[(tert-butylamino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[2-(tert-butylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[(tert-butylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=S)NC(C)(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)[C@H](C(=O)NNC(=S)NC(C)(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H36N4O2S/c1-12(2)16(17(26)24-25-19(28)23-20(3,4)5)22-18(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h12-16H,6-11H2,1-5H3,(H,22,27)(H,24,26)(H2,23,25,28)/t13?,14?,15?,16-,21?/m1/s1