methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H28N2O2S2 MolecularWeight: 440.62132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C24H28N2O2S2/c1-13-19(16-6-4-3-5-7-16)20(23(27)28-2)22(30-13)26-24(29)25-21-17-9-14-8-15(11-17)12-18(21)10-14/h3-7,14-15,17-18,21H,8-12H2,1-2H3,(H2,25,26,29)