3-chloranyl-N-[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-acetylpiperazino)-3-chloro-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C21H18Cl2N4O4S MolecularWeight: 493.36302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18Cl2N4O4S/c1-12(28)25-8-10-26(11-9-25)18-14(22)5-3-6-15(18)24-21(29)20-17(23)13-4-2-7-16(27(30)31)19(13)32-20/h2-7H,8-11H2,1H3,(H,24,29)