5-bromanyl-2-chloranyl-N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[sulfanylidene-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiocarbamoyl]benzamide Formula: C17H24BrClN3OS+ MolecularWeight: 433.81396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C

InChI

InChI=1S/C17H23BrClN3OS/c1-16(2)8-11(9-17(3,4)22-16)20-15(24)21-14(23)12-7-10(18)5-6-13(12)19/h5-7,11,22H,8-9H2,1-4H3,(H2,20,21,23,24)/p+1