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

Systemtic Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]-2-oxo-indolin-3-ylidene]amino]carbamothioylamino]benzoate CAS Name: 4-[[[2-[1-[(3-chlorophenyl)methyl]-2-oxo-3-indolylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[1-(3-chlorobenzyl)-2-keto-indolin-3-ylidene]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O3S/c1-2-33-24(32)17-10-12-19(13-11-17)27-25(34)29-28-22-20-8-3-4-9-21(20)30(23(22)31)15-16-6-5-7-18(26)14-16/h3-14H,2,15H2,1H3,(H2,27,29,34)