methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H20ClN5O2S2 MolecularWeight: 461.9881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C

InChI

InChI=1S/C20H20ClN5O2S2/c1-4-14-11(2)30-18(17(14)19(27)28-3)24-20(29)23-13-7-5-12(6-8-13)22-16-10-9-15(21)25-26-16/h5-10H,4H2,1-3H3,(H,22,26)(H2,23,24,29)