methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H35N3O3S2 MolecularWeight: 477.683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C

InChI

InChI=1S/C24H35N3O3S2/c1-6-27(7-2)21(28)19-14(3)18(22(29)30-5)20(32-19)25-23(31)26(4)24-11-15-8-16(12-24)10-17(9-15)13-24/h15-17H,6-13H2,1-5H3,(H,25,31)