ethyl 4-[(butanoylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(butanoylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(butanoylamino)carbamothioylamino]benzoate CAS Name: 4-[[(1-oxobutylhydrazo)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(butanoylamino)carbamothioylamino]benzoate Traditional Name: 4-(butyramidothiocarbamoylamino)benzoic acid ethyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C14H19N3O3S/c1-3-5-12(18)16-17-14(21)15-11-8-6-10(7-9-11)13(19)20-4-2/h6-9H,3-5H2,1-2H3,(H,16,18)(H2,15,17,21)