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

Systemtic Name: 3,6-bis(chloranyl)-N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C21H18Cl3N3O2S MolecularWeight: 482.81052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl3N3O2S/c1-12(28)26-6-8-27(9-7-26)17-5-3-14(11-16(17)23)25-21(29)20-19(24)15-4-2-13(22)10-18(15)30-20/h2-5,10-11H,6-9H2,1H3,(H,25,29)