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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C25H30N2O2S2/c1-15-20(19-7-5-4-6-8-19)21(23(28)29-3)22(31-15)26-24(30)27(2)25-12-16-9-17(13-25)11-18(10-16)14-25/h4-8,16-18H,9-14H2,1-3H3,(H,26,30)