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

Systemtic Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C22H26N4O3S/c1-2-4-21(28)26-14-12-25(13-15-26)18-8-6-17(7-9-18)23-22(30)24-20(27)11-10-19-5-3-16-29-19/h3,5-11,16H,2,4,12-15H2,1H3,(H2,23,24,27,30)/b11-10+