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

Systemtic Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[1-[(4-fluorophenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[1-(4-fluorobenzyl)-2-keto-indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4O3S/c1-2-33-24(32)17-9-13-19(14-10-17)27-25(34)29-28-22-20-5-3-4-6-21(20)30(23(22)31)15-16-7-11-18(26)12-8-16/h3-14H,2,15H2,1H3,(H2,27,29,34)