N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-fluorophenyl)propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C22H19ClFN3OS2 MolecularWeight: 459.987163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H19ClFN3OS2/c1-14(21(28)25-17-9-12-20(24)19(23)13-17)30-18-10-7-16(8-11-18)27-22(29)26-15-5-3-2-4-6-15/h2-14H,1H3,(H,25,28)(H2,26,27,29)