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

Systemtic Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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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=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H24N4O2S/c1-2-23-11-13-24(14-12-23)17-7-5-16(6-8-17)21-20(27)22-19(25)10-9-18-4-3-15-26-18/h3-10,15H,2,11-14H2,1H3,(H2,21,22,25,27)/p+1/b10-9+