[4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-(isopropylcarbamothioylhydrazono)methyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]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(=C(C(=C2)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-13(2)23-21(30)24-22-12-14-6-8-16(9-7-14)29-20(25)15-10-17(26-3)19(28-5)18(11-15)27-4/h6-13H,1-5H3,(H2,23,24,30)/b22-12+