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

Systemtic Name: 3-chloranyl-N-[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-benzoyl-1-piperazinyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-benzoylpiperazino)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O2S/c27-23-19-10-4-7-13-22(19)33-24(23)25(31)28-20-11-5-6-12-21(20)29-14-16-30(17-15-29)26(32)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,28,31)