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

Systemtic Name: ethyl 4-[[[1-[(2,5-dimethylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[1-[(2,5-dimethylphenyl)methyl]-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[1-[(2,5-dimethylphenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(2,5-dimethylphenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[1-(2,5-dimethylbenzyl)-2-keto-indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3S/c1-4-34-26(33)19-11-13-21(14-12-19)28-27(35)30-29-24-22-7-5-6-8-23(22)31(25(24)32)16-20-15-17(2)9-10-18(20)3/h5-15H,4,16H2,1-3H3,(H2,28,30,35)