2-chloranyl-5-nitro-N-[4-[2-(phenylcarbamothioylamino)ethyl]phenyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-[2-(phenylcarbamothioylamino)ethyl]phenyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[4-[2-(phenylcarbamothioylamino)ethyl]phenyl]benzamide CAS Name: N-[4-[2-[[anilino(sulfanylidene)methyl]amino]ethyl]phenyl]-2-chloro-5-nitrobenzamide IUPAC Name: 2-chloro-5-nitro-N-[4-[2-(phenylcarbamothioylamino)ethyl]phenyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[4-[2-(phenylthiocarbamoylamino)ethyl]phenyl]benzamide Formula: C22H19ClN4O3S MolecularWeight: 454.92926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN4O3S/c23-20-11-10-18(27(29)30)14-19(20)21(28)25-17-8-6-15(7-9-17)12-13-24-22(31)26-16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,25,28)(H2,24,26,31)