(E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-2-25-14-16-26(17-15-25)20-11-9-19(10-12-20)23-22(28)24-21(27)13-8-18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H2,23,24,27,28)/p+1/b13-8+