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

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-butoxybenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-3-4-11-26-16-8-6-15(7-9-16)19(24)27-17-10-5-14(12-18(17)25-2)13-22-23-20(21)28/h5-10,12-13H,3-4,11H2,1-2H3,(H3,21,23,28)/b22-13+