methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC

InChI

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