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

Systemtic Name: ethyl 4-[[[5-bromanyl-1-[(2,5-dimethylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[5-bromo-1-[(2,5-dimethylphenyl)methyl]-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[5-bromo-1-[(2,5-dimethylphenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[5-bromo-1-[(2,5-dimethylphenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[5-bromo-1-(2,5-dimethylbenzyl)-2-keto-indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C27H25BrN4O3S MolecularWeight: 565.4814

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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=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN4O3S/c1-4-35-26(34)18-7-10-21(11-8-18)29-27(36)31-30-24-22-14-20(28)9-12-23(22)32(25(24)33)15-19-13-16(2)5-6-17(19)3/h5-14H,4,15H2,1-3H3,(H2,29,31,36)