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

Systemtic Name: 3-chloranyl-N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(2-chlorobenzyl)piperazino]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C26H22Cl2N4O3S MolecularWeight: 541.44888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H22Cl2N4O3S/c27-21-6-2-1-4-17(21)16-30-12-14-31(15-13-30)19-10-8-18(9-11-19)29-26(33)25-23(28)20-5-3-7-22(32(34)35)24(20)36-25/h1-11H,12-16H2,(H,29,33)