ethyl 4-[[(3-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(3-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(3-chlorophenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(3-chlorophenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(3-chlorobenzyl)-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C23H22ClN3O2S/c1-2-29-22(28)19-8-10-21(11-9-19)26-23(30)27(16-18-6-4-12-25-14-18)15-17-5-3-7-20(24)13-17/h3-14H,2,15-16H2,1H3,(H,26,30)