ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(2-methylthiazol-4-yl)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-methyl-4-thiazolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(2-methylthiazol-4-yl)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CSC(=N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)CC2=CSC(=N2)C

InChI

InChI=1S/C16H18N4O3S2/c1-3-23-15(22)11-4-6-12(7-5-11)18-16(24)20-19-14(21)8-13-9-25-10(2)17-13/h4-7,9H,3,8H2,1-2H3,(H,19,21)(H2,18,20,24)