ethyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S2 MolecularWeight: 476.99614

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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=C3OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C22H21ClN2O4S2/c1-4-29-21(26)14-10-19(13-8-6-5-7-9-13)31-20(14)25-22(30)24-16-12-17(27-2)15(23)11-18(16)28-3/h5-12H,4H2,1-3H3,(H2,24,25,30)