ethyl 2-[(2,6-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,6-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,6-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-dimethylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,6-dimethylphenyl)thiocarbamoylamino]-5-methyl-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)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H24N2O2S2/c1-5-27-22(26)19-18(17-12-7-6-8-13-17)16(4)29-21(19)25-23(28)24-20-14(2)10-9-11-15(20)3/h6-13H,5H2,1-4H3,(H2,24,25,28)