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

Systemtic Name: dimethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[1-(1-adamantyl)butylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1-adamantyl)butylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C24H34N2O4S2 MolecularWeight: 478.66776

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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)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O4S2/c1-5-6-17(24-10-14-7-15(11-24)9-16(8-14)12-24)25-23(31)26-20-18(21(27)29-3)13(2)19(32-20)22(28)30-4/h14-17H,5-12H2,1-4H3,(H2,25,26,31)