methyl 3-chloranyl-6-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15Cl2N5O2S2 MolecularWeight: 504.4121

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5O2S2/c1-30-20(29)19-18(23)14-7-6-13(10-15(14)32-19)26-21(31)25-12-4-2-11(3-5-12)24-17-9-8-16(22)27-28-17/h2-10H,1H3,(H,24,28)(H2,25,26,31)