methyl 4-[(hexanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(hexanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(hexanoylamino)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(hexanoylamino)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(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=C(C=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-4-5-6-13(20)18-19-16(24)17-14(21)11-7-9-12(10-8-11)15(22)23-2/h7-10H,3-6H2,1-2H3,(H,18,20)(H2,17,19,21,24)