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

Systemtic Name: methyl 2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(2,4-dimethylphenyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H26N2O2S2/c1-14-11-12-19(15(2)13-14)16(3)25-24(29)26-22-21(23(27)28-5)20(17(4)30-22)18-9-7-6-8-10-18/h6-13,16H,1-5H3,(H2,25,26,29)