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

Systemtic Name: (E)-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25ClN4O2S/c1-2-21(30)27-13-15-28(16-14-27)22-18(24)9-6-10-19(22)25-23(31)26-20(29)12-11-17-7-4-3-5-8-17/h3-12H,2,13-16H2,1H3,(H2,25,26,29,31)/b12-11+