4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate

Systemtic Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(2-chloroanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorobenzyl)-[(2-chlorophenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C22H17Cl2N2O2S- MolecularWeight: 444.35358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O2S/c23-18-11-7-16(8-12-18)14-26(13-15-5-9-17(10-6-15)21(27)28)22(29)25-20-4-2-1-3-19(20)24/h1-12H,13-14H2,(H,25,29)(H,27,28)/p-1