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

Systemtic Name: [4-bromanyl-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Openeye Name: [4-bromo-2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-bromo-2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=S)N

InChI

InChI=1S/C18H18BrN3O3S/c1-2-9-24-15-6-3-12(4-7-15)17(23)25-16-8-5-14(19)10-13(16)11-21-22-18(20)26/h3-8,10-11H,2,9H2,1H3,(H3,20,22,26)/b21-11+