(E)-3-phenyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[1-oxo-3-(1-piperidin-1-iumyl)propyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)thiocarbamoyl]acrylamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c23-16(10-9-15-7-3-1-4-8-15)19-18(25)21-20-17(24)11-14-22-12-5-2-6-13-22/h1,3-4,7-10H,2,5-6,11-14H2,(H,20,24)(H2,19,21,23,25)/p+1/b10-9+