ethyl 2-[(3-ethanoylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-ethanoylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-acetylphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetylanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-acetylphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-acetylphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H22N2O3S2/c1-4-28-22(27)20-19(16-9-6-5-7-10-16)15(3)30-21(20)25-23(29)24-18-12-8-11-17(13-18)14(2)26/h5-13H,4H2,1-3H3,(H2,24,25,29)