4-bromanyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[1-oxo-3-(1-piperidin-1-iumyl)propyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(3-piperidin-1-ium-1-ylpropanoylamino)thiocarbamoyl]benzamide Formula: C16H22BrN4O2S+ MolecularWeight: 414.34048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN4O2S/c17-13-6-4-12(5-7-13)15(23)18-16(24)20-19-14(22)8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H,19,22)(H2,18,20,23,24)/p+1