N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H27ClN4O3S/c29-24-19-22(30-28(37)31-26(34)20-36-23-9-5-2-6-10-23)12-13-25(24)32-15-17-33(18-16-32)27(35)14-11-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H2,30,31,34,37)/b14-11+