ethyl 4-cyano-5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3,5-dimethylbenzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3,5-dimethylbenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C)C#N)C

InChI

InChI=1S/C19H19N3O3S2/c1-5-25-18(24)15-12(4)14(9-20)17(27-15)22-19(26)21-16(23)13-7-10(2)6-11(3)8-13/h6-8H,5H2,1-4H3,(H2,21,22,23,26)