3-chloranyl-7-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzothiophene-2-carboxamide Formula: C28H23ClN4O4S MolecularWeight: 547.02462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H23ClN4O4S/c29-25-22-7-4-8-23(33(36)37)26(22)38-27(25)28(35)30-20-10-12-21(13-11-20)31-15-17-32(18-16-31)24(34)14-9-19-5-2-1-3-6-19/h1-14H,15-18H2,(H,30,35)/b14-9+