ethyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(methylthio)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H20N2O2S3/c1-3-25-20(24)15-13-18(14-9-5-4-6-10-14)28-19(15)23-21(26)22-16-11-7-8-12-17(16)27-2/h4-13H,3H2,1-2H3,(H2,22,23,26)