ethyl 4-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-2-28-19(27)13-3-5-15(6-4-13)23-20(29)24-16-9-7-14(8-10-16)22-18-12-11-17(21)25-26-18/h3-12H,2H2,1H3,(H,22,26)(H2,23,24,29)