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

Systemtic Name: methyl 2-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)propanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)propanoylamino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22ClN3O4S2 MolecularWeight: 455.97868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NNC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

InChI=1S/C19H22ClN3O4S2/c1-9-6-13(7-10(2)15(9)20)27-12(4)16(24)22-23-19(28)21-17-14(18(25)26-5)8-11(3)29-17/h6-8,12H,1-5H3,(H,22,24)(H2,21,23,28)