2,3-dimethoxy-6-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 6-[(Z)-[(4-isopropylphenyl)carbamothioylhydrazono]methyl]-2,3-dimethoxy-benzoic acid CAS Name: 2,3-dimethoxy-6-[(Z)-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 2,3-dimethoxy-6-[(Z)-(p-cumenylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NN=CC2=C(C(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N/N=C\C2=C(C(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-12(2)13-5-8-15(9-6-13)22-20(28)23-21-11-14-7-10-16(26-3)18(27-4)17(14)19(24)25/h5-12H,1-4H3,(H,24,25)(H2,22,23,28)/b21-11-