N-(5-chloranylpyridin-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-chloro-2-pyridinyl)-2-phenylacetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C26H21ClN4OS2 MolecularWeight: 505.05414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC=C(C=C2)Cl)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC=C(C=C2)Cl)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN4OS2/c27-19-11-16-23(28-17-19)31-25(32)24(18-7-3-1-4-8-18)34-22-14-12-21(13-15-22)30-26(33)29-20-9-5-2-6-10-20/h1-17,24H,(H,28,31,32)(H2,29,30,33)