methyl 2-[[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]carbamothioylamino]benzoate Openeye Name: methyl 2-[[[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]carbamothioylamino]benzoate CAS Name: 2-[[[[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]carbamothioylamino]benzoate Traditional Name: 2-[[[2-[[2-keto-2-(p-anisidino)ethyl]thio]acetyl]amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NNC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C20H22N4O5S2/c1-28-14-9-7-13(8-10-14)21-17(25)11-31-12-18(26)23-24-20(30)22-16-6-4-3-5-15(16)19(27)29-2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,30)