3-chloranyl-6-fluoranyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-[4-(m-tolyl)piperazino]ethyl]benzothiophene-2-carboxamide Formula: C22H23ClFN3OS MolecularWeight: 431.953923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C22H23ClFN3OS/c1-15-3-2-4-17(13-15)27-11-9-26(10-12-27)8-7-25-22(28)21-20(23)18-6-5-16(24)14-19(18)29-21/h2-6,13-14H,7-12H2,1H3,(H,25,28)