(E)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(1-benzylpiperidin-1-ium-4-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoyl]-3-(2-thienyl)acrylamide Formula: C20H24N3OS2+ MolecularWeight: 386.55406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=S)NC(=O)C=CC2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=S)NC(=O)/C=C/C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS2/c24-19(9-8-18-7-4-14-26-18)22-20(25)21-17-10-12-23(13-11-17)15-16-5-2-1-3-6-16/h1-9,14,17H,10-13,15H2,(H2,21,22,24,25)/p+1/b9-8+