3-chloranyl-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzothiophene-2-carboxamide Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H24ClN3O2S/c29-26-23-8-4-5-9-24(23)35-27(26)28(34)30-21-11-13-22(14-12-21)31-16-18-32(19-17-31)25(33)15-10-20-6-2-1-3-7-20/h1-15H,16-19H2,(H,30,34)/b15-10+