2-bromanyl-3,5-bis(iodanyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C19H18BrI2N3O2S MolecularWeight: 686.14306

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3Br)I)I

InChI

InChI=1S/C19H18BrI2N3O2S/c20-17-15(9-13(21)10-16(17)22)18(26)24-19(28)23-14-3-1-12(2-4-14)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H2,23,24,26,28)