ethyl 5-(1-adamantylcarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H26N2O3S2/c1-3-25-17(23)16-11(2)4-15(27-16)21-19(26)22-18(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h4,12-14H,3,5-10H2,1-2H3,(H2,21,22,24,26)