[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate

Systemtic Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(ethylcarbamothioylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(ethylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NCC

InChI

InChI=1S/C21H25N3O3S/c1-3-5-14-26-18-12-8-17(9-13-18)20(25)27-19-10-6-16(7-11-19)15-23-24-21(28)22-4-2/h6-13,15H,3-5,14H2,1-2H3,(H2,22,24,28)/b23-15+