methyl 6-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(1-adamantyl)ethanoylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[[2-(1-adamantyl)acetyl]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[[2-(1-adamantyl)acetyl]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H33N3O3S/c1-26-18(25)5-3-2-4-6-21-19(27)23-22-17(24)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,2-13H2,1H3,(H,22,24)(H2,21,23,27)