methyl 4-(4-methylphenyl)-2-(2-thiophen-2-ylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-(2-thiophen-2-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(p-tolyl)-2-[[2-(2-thienyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[[(1-oxo-2-thiophen-2-ylethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[(2-thiophen-2-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-(2-thienyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H18N2O3S3 MolecularWeight: 430.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=S)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C20H18N2O3S3/c1-12-5-7-13(8-6-12)15-11-28-18(17(15)19(24)25-2)22-20(26)21-16(23)10-14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H2,21,22,23,26)