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

Systemtic Name: 3-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-25-12-14-26(15-13-25)19-5-3-2-4-18(19)23-21(28)24-20(27)11-8-16-6-9-17(22)10-7-16/h2-11H,12-15H2,1H3,(H2,23,24,27,28)