2-(1-adamantylcarbamothioylamino)ethanoic acid

Systemtic Name: 2-(1-adamantylcarbamothioylamino)ethanoic acid Openeye Name: 2-(1-adamantylcarbamothioylamino)acetic acid CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-(1-adamantylcarbamothioylamino)acetic acid Traditional Name: 2-(1-adamantylthiocarbamoylamino)acetic acid Formula: C13H20N2O2S MolecularWeight: 268.3751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC(=O)O

InChI

InChI=1S/C13H20N2O2S/c16-11(17)7-14-12(18)15-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,16,17)(H2,14,15,18)