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

Systemtic Name: 3-chloranyl-7-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)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=C2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H23ClN4O3S/c27-23-21-7-4-8-22(31(33)34)24(21)35-25(23)26(32)28-19-9-11-20(12-10-19)30-15-13-29(14-16-30)17-18-5-2-1-3-6-18/h1-12H,13-17H2,(H,28,32)