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

Systemtic Name: N-[(2R)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[(cyclopentylcarbamothioylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[(cyclopentylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=S)NC1CCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NNC(=S)NC1CCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H36N4O2S/c1-13(2)18(19(27)25-26-21(29)23-17-5-3-4-6-17)24-20(28)22-10-14-7-15(11-22)9-16(8-14)12-22/h13-18H,3-12H2,1-2H3,(H,24,28)(H,25,27)(H2,23,26,29)/t14?,15?,16?,18-,22?/m1/s1