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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4OS2/c1-14(20(27)26-19-12-7-15(22)13-23-19)29-18-10-8-17(9-11-18)25-21(28)24-16-5-3-2-4-6-16/h2-14H,1H3,(H,23,26,27)(H2,24,25,28)