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

Systemtic Name: ethyl 2-[(4-ethanoylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-acetylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-acetylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S2/c1-3-27-21(26)18-13-19(16-7-5-4-6-8-16)29-20(18)24-22(28)23-17-11-9-15(10-12-17)14(2)25/h4-13H,3H2,1-2H3,(H2,23,24,28)