N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C23H24Cl2N4O2S MolecularWeight: 491.43326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24Cl2N4O2S/c1-2-22(31)29-13-11-28(12-14-29)20-9-8-18(25)15-19(20)26-23(32)27-21(30)10-5-16-3-6-17(24)7-4-16/h3-10,15H,2,11-14H2,1H3,(H2,26,27,30,32)