methyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H26N2O2S2/c1-27-22(26)18-12-19(15-5-3-2-4-6-15)29-21(18)25-23(28)24-20-16-8-13-7-14(10-16)11-17(20)9-13/h2-6,12-14,16-17,20H,7-11H2,1H3,(H2,24,25,28)