2-chloranyl-5-iodanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-5-iodanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-5-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-5-iodo-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-5-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-5-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H20ClIN3O2S+ MolecularWeight: 516.80347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClIN3O2S/c20-17-6-3-14(21)11-16(17)18(25)23-19(27)22-15-4-1-13(2-5-15)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H2,22,23,25,27)/p+1