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

Systemtic Name: diethyl 5-[1-(1-adamantyl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[1-(1-adamantyl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(1-adamantyl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1-adamantyl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H36N2O4S2 MolecularWeight: 492.69434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4S2/c1-5-18(25-11-15-8-16(12-25)10-17(9-15)13-25)26-24(32)27-21-19(22(28)30-6-2)14(4)20(33-21)23(29)31-7-3/h15-18H,5-13H2,1-4H3,(H2,26,27,32)