[2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chloranylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chloranylbenzoate Openeye Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-methoxy-4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-28-20-13-15(14-24-26-22(30)25-16-7-3-2-4-8-16)11-12-19(20)29-21(27)17-9-5-6-10-18(17)23/h2-14H,1H3,(H2,25,26,30)/b24-14+