ethyl 2-(2-adamantylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-adamantylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

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