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

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(pentylcarbamothioyl)hydrazinyl]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[(pentylcarbamothioylamino)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(pentylamino)-sulfanylidenemethyl]hydrazo]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[2-(pentylcarbamothioyl)hydrazinyl]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[(amylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4O2S/c1-4-5-6-7-23-21(29)26-25-19(27)18(14(2)3)24-20(28)22-11-15-8-16(12-22)10-17(9-15)13-22/h14-18H,4-13H2,1-3H3,(H,24,28)(H,25,27)(H2,23,26,29)/t15?,16?,17?,18-,22?/m0/s1