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

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18ClN5O2S2 MolecularWeight: 447.96152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C

InChI

InChI=1S/C19H18ClN5O2S2/c1-10-11(2)29-17(16(10)18(26)27-3)23-19(28)22-13-6-4-12(5-7-13)21-15-9-8-14(20)24-25-15/h4-9H,1-3H3,(H,21,25)(H2,22,23,28)