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

Systemtic Name: (E)-3-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-2-22(29)27-16-14-26(15-17-27)20-11-9-19(10-12-20)24-23(30)25-21(28)13-8-18-6-4-3-5-7-18/h3-13H,2,14-17H2,1H3,(H2,24,25,28,30)/b13-8+