methyl 2-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate

Systemtic Name: methyl 2-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate Openeye Name: methyl 2-[[(3E)-3-(carbamothioylhydrazono)butanoyl]amino]benzoate CAS Name: 2-[[(3E)-3-(carbamothioylhydrazinylidene)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate Traditional Name: 2-[[(3E)-3-(thiocarbamoylhydrazono)butanoyl]amino]benzoic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CC(=O)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

C/C(=N\NC(=S)N)/CC(=O)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H16N4O3S/c1-8(16-17-13(14)21)7-11(18)15-10-6-4-3-5-9(10)12(19)20-2/h3-6H,7H2,1-2H3,(H,15,18)(H3,14,17,21)/b16-8+