3-phenyl-N-[[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]propanamide

Systemtic Name: 3-phenyl-N-[[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]propanamide Openeye Name: 3-phenyl-N-[[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]propanamide CAS Name: 3-phenyl-N-[[[5-[2-(1-piperidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-phenyl-N-[[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]carbamothioyl]propanamide Traditional Name: 3-phenyl-N-[[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]thiocarbamoyl]propionamide Formula: C19H26N5OS2+ MolecularWeight: 404.57264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5OS2/c25-16(10-9-15-7-3-1-4-8-15)20-18(26)21-19-23-22-17(27-19)11-14-24-12-5-2-6-13-24/h1,3-4,7-8H,2,5-6,9-14H2,(H2,20,21,23,25,26)/p+1