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

Systemtic Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(2,4-dichlorophenyl)-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]acrylamide Formula: C21H22Cl2N4OS MolecularWeight: 449.39658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4OS/c1-26-10-12-27(13-11-26)19-5-3-2-4-18(19)24-21(29)25-20(28)9-7-15-6-8-16(22)14-17(15)23/h2-9,14H,10-13H2,1H3,(H2,24,25,28,29)