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

Systemtic Name: methyl 2-[[2-(2-chloranyl-5-methyl-phenoxy)ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(2-chloro-5-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(2-chloro-5-methylphenoxy)acetyl]amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-(2-chloro-5-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22ClN3O4S2 MolecularWeight: 504.02148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)NNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)NNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22ClN3O4S2/c1-13-9-10-16(24)17(11-13)31-12-18(28)26-27-23(32)25-21-20(22(29)30-3)19(14(2)33-21)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,26,28)(H2,25,27,32)