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

Systemtic Name: ethyl 4-[[[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(1-benzyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[2-oxo-1-(phenylmethyl)-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-benzyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-benzyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3S/c1-2-32-24(31)18-12-14-19(15-13-18)26-25(33)28-27-22-20-10-6-7-11-21(20)29(23(22)30)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H2,26,28,33)