[2-ethoxy-4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate

Systemtic Name: [2-ethoxy-4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Openeye Name: [2-ethoxy-4-[(E)-(ethylcarbamothioylhydrazono)methyl]phenyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-ethoxy-4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-ethoxy-4-[(E)-(ethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-22-21(29)24-23-14-15-7-12-18(19(13-15)27-6-3)28-20(25)16-8-10-17(11-9-16)26-5-2/h7-14H,4-6H2,1-3H3,(H2,22,24,29)/b23-14+