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

Systemtic Name: 3-chloranyl-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-14(26)24-10-12-25(13-11-24)16-8-6-15(7-9-16)23-21(27)20-19(22)17-4-2-3-5-18(17)28-20/h2-9H,10-13H2,1H3,(H,23,27)