N-[(2S)-3-methyl-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[(isopentylcarbamothioylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[(isoamylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4O2S/c1-13(2)5-6-23-21(29)26-25-19(27)18(14(3)4)24-20(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h13-18H,5-12H2,1-4H3,(H,24,28)(H,25,27)(H2,23,26,29)/t15?,16?,17?,18-,22?/m0/s1