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

Systemtic Name: ethyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22ClN5O2S2 MolecularWeight: 524.05748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN5O2S2/c1-3-33-24(32)22-21(16-7-5-4-6-8-16)15(2)35-23(22)29-25(34)28-18-11-9-17(10-12-18)27-20-14-13-19(26)30-31-20/h4-14H,3H2,1-2H3,(H,27,31)(H2,28,29,34)