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

Systemtic Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

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