[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(ethylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(ethylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-3-20-18(26)22-21-11-12-7-8-15(16(9-12)24-2)25-17(23)13-5-4-6-14(19)10-13/h4-11H,3H2,1-2H3,(H2,20,22,26)/b21-11+