methyl 5-pentan-3-yl-2-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]amino]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 5-pentan-3-yl-2-[[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl]amino]-1,3-thiazole-4-carboxylate Openeye Name: methyl 5-(1-ethylpropyl)-2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]anilino]thiazole-4-carboxylate CAS Name: 5-pentan-3-yl-2-[2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]anilino]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-pentan-3-yl-2-[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]anilino]-1,3-thiazole-4-carboxylate Traditional Name: 5-(1-ethylpropyl)-2-[2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]anilino]thiazole-4-carboxylic acid methyl ester Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(N=C(S1)NC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC(CC)C1=C(N=C(S1)NC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H28N6O2S2/c1-4-17(5-2)24-23(25(34)35-3)31-27(37-24)29-21-14-10-9-13-20(21)28-26(36)30-22-16-15-19(32-33-22)18-11-7-6-8-12-18/h6-17H,4-5H2,1-3H3,(H,29,31)(H2,28,30,33,36)