3,6-bis(chloranyl)-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C21H19Cl2N3O2S MolecularWeight: 448.36546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2S/c1-13(27)25-8-10-26(11-9-25)16-5-3-15(4-6-16)24-21(28)20-19(23)17-7-2-14(22)12-18(17)29-20/h2-7,12H,8-11H2,1H3,(H,24,28)