methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)butylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H34N2O2S2 MolecularWeight: 434.65826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(S4)CC)C(=O)OC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(S4)CC)C(=O)OC

InChI

InChI=1S/C23H34N2O2S2/c1-4-6-19(23-11-14-7-15(12-23)9-16(8-14)13-23)24-22(28)25-20-18(21(26)27-3)10-17(5-2)29-20/h10,14-16,19H,4-9,11-13H2,1-3H3,(H2,24,25,28)