(E)-3-(furan-2-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(2-furyl)prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(2-furyl)acrylamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C19H21N3O2S/c23-18(9-8-17-7-4-14-24-17)20-19(25)22-12-10-21(11-13-22)15-16-5-2-1-3-6-16/h1-9,14H,10-13,15H2,(H,20,23,25)/p+1/b9-8+