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

Systemtic Name: 2-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C19H20ClN4O4S+ MolecularWeight: 435.9045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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