ethyl 4-[[[5-bromanyl-1-[(2-fluorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[5-bromanyl-1-[(2-fluorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[5-bromo-1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[5-bromo-1-(2-fluorobenzyl)-2-keto-indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H20BrFN4O3S MolecularWeight: 555.418703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4F

InChI

InChI=1S/C25H20BrFN4O3S/c1-2-34-24(33)15-7-10-18(11-8-15)28-25(35)30-29-22-19-13-17(26)9-12-21(19)31(23(22)32)14-16-5-3-4-6-20(16)27/h3-13H,2,14H2,1H3,(H2,28,30,35)