4-[(E)-[methyl-[(phenylmethyl)carbamothioyl]hydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(E)-[methyl-[(phenylmethyl)carbamothioyl]hydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(E)-[benzylcarbamothioyl(methyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[methyl-[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[benzylcarbamothioyl(methyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(E)-[benzylthiocarbamoyl(methyl)hydrazono]methyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17N3O2S/c1-20(17(23)18-11-13-5-3-2-4-6-13)19-12-14-7-9-15(10-8-14)16(21)22/h2-10,12H,11H2,1H3,(H,18,23)(H,21,22)/b19-12+