N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(pyridin-4-ylmethylamino)-2-sulfanylidene-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(pyridin-4-ylmethylamino)-2-sulfanylidene-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4-pyridylmethylamino)-2-thioxo-acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-2-sulfanylideneacetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-2-sulfanylideneacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(4-pyridylmethylamino)-2-thioxo-acetamide Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(=S)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(=S)NCC3=CC=NC=C3

InChI

InChI=1S/C21H16ClN3O2S/c22-16-6-7-18(17(12-16)19(26)15-4-2-1-3-5-15)25-20(27)21(28)24-13-14-8-10-23-11-9-14/h1-12H,13H2,(H,24,28)(H,25,27)