ethyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylbenzyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H24N2O2S2/c1-4-27-22(26)20-19(18-8-6-5-7-9-18)16(3)29-21(20)25-23(28)24-14-17-12-10-15(2)11-13-17/h5-13H,4,14H2,1-3H3,(H2,24,25,28)