4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoate

Systemtic Name: 4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoate Openeye Name: 4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazino]benzoate CAS Name: 4-[[(2,6-diethylanilino)-sulfanylidenemethyl]hydrazo]benzoate IUPAC Name: 4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoate Traditional Name: 4-[N'-[(2,6-diethylphenyl)thiocarbamoyl]hydrazino]benzoate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NNC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NNC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-3-12-6-5-7-13(4-2)16(12)19-18(24)21-20-15-10-8-14(9-11-15)17(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)(H2,19,21,24)/p-1