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

Systemtic Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(ethylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-[(E)-(ethylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-4-6-13-28-18-10-8-17(9-11-18)21(26)29-19-12-7-16(14-20(19)27-3)15-24-25-22(30)23-5-2/h7-12,14-15H,4-6,13H2,1-3H3,(H2,23,25,30)/b24-15+