ethyl 4-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(3E)-3-(carbamothioylhydrazono)butanoyl]amino]benzoate CAS Name: 4-[[(3E)-3-(carbamothioylhydrazinylidene)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3E)-3-(carbamothioylhydrazinylidene)butanoyl]amino]benzoate Traditional Name: 4-[[(3E)-3-(thiocarbamoylhydrazono)butanoyl]amino]benzoic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC(=NNC(=S)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C/C(=N/NC(=S)N)/C

InChI

InChI=1S/C14H18N4O3S/c1-3-21-13(20)10-4-6-11(7-5-10)16-12(19)8-9(2)17-18-14(15)22/h4-7H,3,8H2,1-2H3,(H,16,19)(H3,15,18,22)/b17-9+