[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-bromo-6-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=S)N)Br)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H18BrN3O4S/c1-3-25-15-9-11(10-21-22-18(20)27)8-14(19)16(15)26-17(23)12-4-6-13(24-2)7-5-12/h4-10H,3H2,1-2H3,(H3,20,22,27)/b21-10+