methyl 4-[(butanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(butanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(butanoylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(1-oxobutylhydrazo)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(butanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-(butyramidothiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H17N3O4S/c1-3-4-11(18)16-17-14(22)15-12(19)9-5-7-10(8-6-9)13(20)21-2/h5-8H,3-4H2,1-2H3,(H,16,18)(H2,15,17,19,22)