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

Systemtic Name: methyl 4-cyano-5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

InChI

InChI=1S/C18H17N3O3S2/c1-9-5-10(2)7-12(6-9)15(22)20-18(25)21-16-13(8-19)11(3)14(26-16)17(23)24-4/h5-7H,1-4H3,(H2,20,21,22,25)