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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O2S2/c1-27(25-13-17-8-18(14-25)10-19(9-17)15-25)24(30)26-22-21(23(28)29-2)12-20(31-22)11-16-6-4-3-5-7-16/h3-7,12,17-19H,8-11,13-15H2,1-2H3,(H,26,30)