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

Systemtic Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-2-6-23(30)28-17-15-27(16-18-28)21-12-10-20(11-13-21)25-24(31)26-22(29)14-9-19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-18H2,1H3,(H2,25,26,29,31)/b14-9+