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

Systemtic Name: ethyl 2-[[4-(4-chloranylphenoxy)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorophenoxy)phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H23ClN2O3S2 MolecularWeight: 523.06612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClN2O3S2/c1-3-32-26(31)24-23(18-7-5-4-6-8-18)17(2)35-25(24)30-27(34)29-20-11-15-22(16-12-20)33-21-13-9-19(28)10-14-21/h4-16H,3H2,1-2H3,(H2,29,30,34)