ethyl 2-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]anilino]thiazole-4-carboxylate CAS Name: 2-[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]anilino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]anilino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]anilino]thiazole-4-carboxylic acid ethyl ester Formula: C23H20N6O2S2 MolecularWeight: 476.5739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N6O2S2/c1-2-31-21(30)19-14-33-23(26-19)25-18-11-7-6-10-17(18)24-22(32)27-20-13-12-16(28-29-20)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,25,26)(H2,24,27,29,32)