4-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H20ClN4O4S+ MolecularWeight: 435.9045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S/c20-16-6-3-14(11-17(16)24(26)27)18(25)22-19(29)21-15-4-1-13(2-5-15)12-23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H2,21,22,25,29)/p+1