[4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-propoxybenzoate

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-propoxybenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C25H24ClN3O4S/c1-3-13-32-21-10-8-18(9-11-21)24(30)33-22-12-7-17(14-23(22)31-2)16-27-29-25(34)28-20-6-4-5-19(26)15-20/h4-12,14-16H,3,13H2,1-2H3,(H2,28,29,34)/b27-16+