methyl 3-[(hexanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(hexanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(hexanoylamino)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(hexanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(caproylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-4-5-9-13(20)18-19-16(24)17-14(21)11-7-6-8-12(10-11)15(22)23-2/h6-8,10H,3-5,9H2,1-2H3,(H,18,20)(H2,17,19,21,24)