N-(1-adamantylcarbamothioyl)-3-[2-(2-adamantylcarbamothioylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-[2-(2-adamantylcarbamothioylamino)-2-oxidanylidene-ethyl]-2,2-dimethyl-cyclobutane-1-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-[2-(2-adamantylcarbamothioylamino)-2-oxo-ethyl]-2,2-dimethyl-cyclobutanecarboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-[2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-2-oxoethyl]-2,2-dimethyl-1-cyclobutanecarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-[2-(2-adamantylcarbamothioylamino)-2-oxoethyl]-2,2-dimethylcyclobutane-1-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3-[2-(2-adamantylthiocarbamoylamino)-2-keto-ethyl]-2,2-dimethyl-cyclobutanecarboxamide Formula: C31H46N4O2S2 MolecularWeight: 570.85254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC1C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)CC(=O)NC(=S)NC5C6CC7CC(C6)CC5C7)C

Isomeric SMILES

CC1(C(CC1C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)CC(=O)NC(=S)NC5C6CC7CC(C6)CC5C7)C

InChI

InChI=1S/C31H46N4O2S2/c1-30(2)23(12-25(36)32-28(38)33-26-21-7-16-3-17(9-21)10-22(26)8-16)11-24(30)27(37)34-29(39)35-31-13-18-4-19(14-31)6-20(5-18)15-31/h16-24,26H,3-15H2,1-2H3,(H2,32,33,36,38)(H2,34,35,37,39)