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

Systemtic Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]phenyl] ester Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-15-5-2-3-8-20(15)21(27)28-19-11-9-16(10-12-19)14-24-26-22(29)25-18-7-4-6-17(23)13-18/h2-14H,1H3,(H2,25,26,29)/b24-14+