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

Systemtic Name: 3-chloranyl-7-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[2-(4-propionylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-2-18(28)26-12-10-25(11-13-26)16-8-4-3-7-15(16)24-22(29)21-19(23)14-6-5-9-17(27(30)31)20(14)32-21/h3-9H,2,10-13H2,1H3,(H,24,29)