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

Systemtic Name: methyl 2-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19BrClN3O4S2 MolecularWeight: 520.84816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl)C

InChI

InChI=1S/C18H19BrClN3O4S2/c1-4-11-9(2)29-16(15(11)17(25)26-3)21-18(28)23-22-14(24)8-27-13-6-5-10(19)7-12(13)20/h5-7H,4,8H2,1-3H3,(H,22,24)(H2,21,23,28)