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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-isopropylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-p-cumenylethylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S2/c1-15(2)18-11-13-19(14-12-18)16(3)26-25(30)27-23-22(24(28)29-5)21(17(4)31-23)20-9-7-6-8-10-20/h6-16H,1-5H3,(H2,26,27,30)