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

Systemtic Name: ethyl 2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2,5-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(2,5-dimethylphenyl)ethylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H28N2O2S2/c1-6-29-24(28)22-21(19-10-8-7-9-11-19)18(5)31-23(22)27-25(30)26-17(4)20-14-15(2)12-13-16(20)3/h7-14,17H,6H2,1-5H3,(H2,26,27,30)