[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)N

InChI

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