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

Systemtic Name: ethyl 4-[[[5-bromanyl-1-[(2-methylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[5-bromo-1-(o-tolylmethyl)-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[5-bromo-1-[(2-methylphenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[5-bromo-1-[(2-methylphenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[5-bromo-2-keto-1-(2-methylbenzyl)indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H23BrN4O3S MolecularWeight: 551.45482

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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=C4C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4C

InChI

InChI=1S/C26H23BrN4O3S/c1-3-34-25(33)17-8-11-20(12-9-17)28-26(35)30-29-23-21-14-19(27)10-13-22(21)31(24(23)32)15-18-7-5-4-6-16(18)2/h4-14H,3,15H2,1-2H3,(H2,28,30,35)