2-chloranyl-5-nitro-N-[4-[2-(pyridin-3-ylcarbamothioylamino)ethyl]phenyl]benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-[4-[2-(pyridin-3-ylcarbamothioylamino)ethyl]phenyl]benzamide Openeye Name: 2-chloro-5-nitro-N-[4-[2-(3-pyridylcarbamothioylamino)ethyl]phenyl]benzamide CAS Name: 2-chloro-5-nitro-N-[4-[2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]phenyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-[4-[2-(pyridin-3-ylcarbamothioylamino)ethyl]phenyl]benzamide Traditional Name: 2-chloro-5-nitro-N-[4-[2-(3-pyridylthiocarbamoylamino)ethyl]phenyl]benzamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3S/c22-19-8-7-17(27(29)30)12-18(19)20(28)25-15-5-3-14(4-6-15)9-11-24-21(31)26-16-2-1-10-23-13-16/h1-8,10,12-13H,9,11H2,(H,25,28)(H2,24,26,31)