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

Systemtic Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Openeye Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC

InChI

InChI=1S/C26H27N3O4S/c1-3-4-16-32-22-13-11-20(12-14-22)25(30)33-23-15-10-19(17-24(23)31-2)18-27-29-26(34)28-21-8-6-5-7-9-21/h5-15,17-18H,3-4,16H2,1-2H3,(H2,28,29,34)/b27-18+