methyl 2-[[2-(4-bromanyl-2-chloranyl-phenoxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(4-bromanyl-2-chloranyl-phenoxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-chloro-phenoxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-chlorophenoxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-chloro-phenoxy)propanoylamino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H21BrClN3O4S2 MolecularWeight: 582.91754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Br)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)Br)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H21BrClN3O4S2/c1-12(32-17-10-9-15(24)11-16(17)25)20(29)27-28-23(33)26-21-19(22(30)31-3)18(13(2)34-21)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,27,29)(H2,26,28,33)