4-[[(E)-[2-methoxy-3-(4-methylphenyl)phenyl]methylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[(E)-[2-methoxy-3-(4-methylphenyl)phenyl]methylideneamino]carbamothioylamino]benzoic acid Openeye Name: 4-[[(E)-[2-methoxy-3-(p-tolyl)phenyl]methyleneamino]carbamothioylamino]benzoic acid CAS Name: 4-[[[(2E)-2-[[2-methoxy-3-(4-methylphenyl)phenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-[2-methoxy-3-(4-methylphenyl)phenyl]methylideneamino]carbamothioylamino]benzoic acid Traditional Name: 4-[[(E)-[2-methoxy-3-(p-tolyl)benzylidene]amino]thiocarbamoylamino]benzoic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=CC=C2)/C=N/NC(=S)NC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C23H21N3O3S/c1-15-6-8-16(9-7-15)20-5-3-4-18(21(20)29-2)14-24-26-23(30)25-19-12-10-17(11-13-19)22(27)28/h3-14H,1-2H3,(H,27,28)(H2,25,26,30)/b24-14+