ethyl 4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-oxo-2-thioxo-thiazolidin-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-oxo-2-sulfanylidene-3-thiazolidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-2-thioxo-thiazolidin-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=O)CSC2=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(=O)CSC2=S

InChI

InChI=1S/C13H13N3O3S3/c1-2-19-11(18)8-3-5-9(6-4-8)14-12(20)15-16-10(17)7-22-13(16)21/h3-6H,2,7H2,1H3,(H2,14,15,20)