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

Systemtic Name: methyl 2-[[4-(4-chloranylphenoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenoxy)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chlorophenoxy)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H19ClN2O3S2 MolecularWeight: 495.01296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19ClN2O3S2/c1-30-24(29)21-15-22(16-5-3-2-4-6-16)33-23(21)28-25(32)27-18-9-13-20(14-10-18)31-19-11-7-17(26)8-12-19/h2-15H,1H3,(H2,27,28,32)