[2-ethoxy-4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate

Systemtic Name: [2-ethoxy-4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Openeye Name: [2-ethoxy-4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [2-ethoxy-4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-ethoxy-4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C26H26FN3O4S/c1-3-15-33-22-12-6-19(7-13-22)25(31)34-23-14-5-18(16-24(23)32-4-2)17-28-30-26(35)29-21-10-8-20(27)9-11-21/h5-14,16-17H,3-4,15H2,1-2H3,(H2,29,30,35)/b28-17+