methyl 4-cyano-5-(2,2-diphenylethanoylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-(2,2-diphenylethanoylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(2,2-diphenylacetyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(2,2-diphenylacetyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2,2-diphenylacetyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H19N3O3S2/c1-14-17(13-24)21(31-19(14)22(28)29-2)26-23(30)25-20(27)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H2,25,26,27,30)