[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-25(2,3)20-13-11-19(12-14-20)23(29)30-22-15-9-18(10-16-22)17-26-28-24(31)27-21-7-5-4-6-8-21/h4-17H,1-3H3,(H2,27,28,31)/b26-17+