2-[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(p-tolylcarbamothioylamino)carbonimidoyl]phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[(4-methylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(p-tolylthiocarbamoylamino)carbonimidoyl]phenyl]acetic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC(=C(C=C2)OC)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC(=C(C=C2)OC)CC(=O)O

InChI

InChI=1S/C19H21N3O3S/c1-12-4-7-16(8-5-12)20-19(26)22-21-13(2)14-6-9-17(25-3)15(10-14)11-18(23)24/h4-10H,11H2,1-3H3,(H,23,24)(H2,20,22,26)/b21-13-