ethyl 5-[(2,5-dimethylphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(2,5-dimethylphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2,5-dimethylphenyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,5-dimethylphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C=CC(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(C=CC(=C2)C)C)C

InChI

InChI=1S/C17H20N2O2S2/c1-5-21-16(20)15-12(4)9-14(23-15)19-17(22)18-13-8-10(2)6-7-11(13)3/h6-9H,5H2,1-4H3,(H2,18,19,22)