[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2S/c1-16-6-5-7-18(14-16)21(26)27-20-12-10-17(11-13-20)15-23-25-22(28)24-19-8-3-2-4-9-19/h2-15H,1H3,(H2,24,25,28)/b23-15+