[4-[(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(butylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(butylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(butylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-5-12-22-21(29)24-23-14-15-6-11-18(19(13-15)27-3)28-20(25)16-7-9-17(26-2)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H2,22,24,29)