2-[(E)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]benzoic acid

Systemtic Name: 2-[(E)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]benzoic acid Openeye Name: 2-[(E)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]benzoic acid CAS Name: 2-[(1E)-1-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]benzoic acid IUPAC Name: 2-[(E)-N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]benzoic acid Traditional Name: 2-[(E)-N-(cyclohexylthiocarbamoylamino)-C-methyl-carbonimidoyl]benzoic acid Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1CCCCC1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C/C(=N\NC(=S)NC1CCCCC1)/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21N3O2S/c1-11(13-9-5-6-10-14(13)15(20)21)18-19-16(22)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,21)(H2,17,19,22)/b18-11+