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

Systemtic Name: methyl 2-[[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chloro-2-methylphenoxy)butanoylamino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-chloro-2-methyl-phenoxy)butanoylamino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C)C(=O)OC

InChI

InChI=1S/C20H24ClN3O4S2/c1-4-14-11-15(19(26)27-3)18(30-14)22-20(29)24-23-17(25)6-5-9-28-16-8-7-13(21)10-12(16)2/h7-8,10-11H,4-6,9H2,1-3H3,(H,23,25)(H2,22,24,29)