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

Systemtic Name: ethyl 4-[[[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-benzyl-5-bromo-2-oxoindol-3-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H21BrN4O3S MolecularWeight: 537.42824

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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=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H21BrN4O3S/c1-2-33-24(32)17-8-11-19(12-9-17)27-25(34)29-28-22-20-14-18(26)10-13-21(20)30(23(22)31)15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H2,27,29,34)