ethyl 4-(3,4-dimethylphenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(2-thenoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O3S3/c1-4-26-20(25)17-15(14-8-7-12(2)13(3)10-14)11-29-19(17)23-21(27)22-18(24)16-6-5-9-28-16/h5-11H,4H2,1-3H3,(H2,22,23,24,27)