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

Systemtic Name: 3-chloranyl-N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[4-(4-chlorobenzoyl)piperazino]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C26H20Cl2N4O4S MolecularWeight: 555.4324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20Cl2N4O4S/c27-17-10-8-16(9-11-17)26(34)31-14-12-30(13-15-31)20-6-2-1-5-19(20)29-25(33)24-22(28)18-4-3-7-21(32(35)36)23(18)37-24/h1-11H,12-15H2,(H,29,33)