N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-3-thiophen-2-yl-prop-2-enamide Openeye Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)-3-(2-thienyl)prop-2-enamide CAS Name: N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)-3-(2-thienyl)acrylamide Formula: C17H19N4OS2+ MolecularWeight: 359.48896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C17H18N4OS2/c22-16(7-6-14-4-3-13-24-14)19-17(23)21-11-9-20(10-12-21)15-5-1-2-8-18-15/h1-8,13H,9-12H2,(H,19,22,23)/p+1