ethyl 4-[[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2-chlorophenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-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=CN=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3Cl

InChI

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