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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]benzothiophene-2-carboxamide Formula: C28H23Cl2N3O2S MolecularWeight: 536.47212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23Cl2N3O2S/c29-22-18-20(31-28(35)27-26(30)21-8-4-5-9-24(21)36-27)11-12-23(22)32-14-16-33(17-15-32)25(34)13-10-19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H,31,35)/b13-10+