methyl 2-[[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylethanoylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylethanoylamino]carbamothioylamino]benzoate Openeye Name: methyl 2-[[[2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylacetyl]amino]carbamothioylamino]benzoate CAS Name: 2-[[[[1-oxo-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]ethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]amino]carbamothioylamino]benzoate Traditional Name: 2-[[[2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]acetyl]amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H17N5O4S3 MolecularWeight: 439.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NNC(=O)CSCC(=O)NC2=NC=CS2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NNC(=O)CSCC(=O)NC2=NC=CS2

InChI

InChI=1S/C16H17N5O4S3/c1-25-14(24)10-4-2-3-5-11(10)18-15(26)21-20-13(23)9-27-8-12(22)19-16-17-6-7-28-16/h2-7H,8-9H2,1H3,(H,20,23)(H,17,19,22)(H2,18,21,26)