[2-methoxy-4-[(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-methoxy-4-[(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,5-dimethoxybenzoate Openeye Name: [4-[(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-methoxy-4-[[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-[(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-13(2)23-21(30)24-22-12-14-6-7-18(19(8-14)28-5)29-20(25)15-9-16(26-3)11-17(10-15)27-4/h6-13H,1-5H3,(H2,23,24,30)