[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-methoxy-4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O3S/c1-12(2)22-19(27)23-21-11-13-4-9-16(17(10-13)25-3)26-18(24)14-5-7-15(20)8-6-14/h4-12H,1-3H3,(H2,22,23,27)/b21-11+