methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H32N2O2S2 MolecularWeight: 468.67448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H32N2O2S2/c1-15-21(20-7-5-4-6-8-20)22(24(29)30-3)23(32-15)28-25(31)27-16(2)26-12-17-9-18(13-26)11-19(10-17)14-26/h4-8,16-19H,9-14H2,1-3H3,(H2,27,28,31)