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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-4-(4-propionylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C22H20Cl2N4O4S MolecularWeight: 507.3896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O4S/c1-2-18(29)27-10-8-26(9-11-27)16-7-6-13(12-15(16)23)25-22(30)21-19(24)14-4-3-5-17(28(31)32)20(14)33-21/h3-7,12H,2,8-11H2,1H3,(H,25,30)