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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-25-11-13-26(14-12-25)19-9-8-17(15-18(19)22)23-21(28)24-20(27)10-7-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,23,24,27,28)/b10-7+