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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4OS/c1-2-26-13-15-27(16-14-26)21-18(23)9-6-10-19(21)24-22(29)25-20(28)12-11-17-7-4-3-5-8-17/h3-12H,2,13-16H2,1H3,(H2,24,25,28,29)