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

Systemtic Name: 3-chloranyl-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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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(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O4S/c1-13(27)24-9-11-25(12-10-24)15-7-5-14(6-8-15)23-21(28)20-18(22)16-3-2-4-17(26(29)30)19(16)31-20/h2-8H,9-12H2,1H3,(H,23,28)