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

Systemtic Name: 3-iodanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H21IN3O2S+ MolecularWeight: 482.35841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20IN3O2S/c20-16-3-1-2-15(12-16)18(24)22-19(26)21-17-6-4-14(5-7-17)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H2,21,22,24,26)/p+1