methyl 2-[(2-ethylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-ethylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O2S2/c1-3-14-9-7-8-12-17(14)22-21(26)23-19-16(20(24)25-2)13-18(27-19)15-10-5-4-6-11-15/h4-13H,3H2,1-2H3,(H2,22,23,26)