diethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1-adamantyl)butylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H38N2O4S2 MolecularWeight: 506.72092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O4S2/c1-5-8-19(26-12-16-9-17(13-26)11-18(10-16)14-26)27-25(33)28-22-20(23(29)31-6-2)15(4)21(34-22)24(30)32-7-3/h16-19H,5-14H2,1-4H3,(H2,27,28,33)