[4-[(3-nitrophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [4-[(3-nitrophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[4-[(3-nitrophenyl)methoxy]phenyl]methanethione CAS Name: [4-[(3-nitrophenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[4-[(3-nitrophenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazino)-[4-(3-nitrobenzyl)oxyphenyl]methanethione Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3S/c29-28(30)23-8-4-7-21(17-23)19-31-24-11-9-22(10-12-24)25(32)27-15-13-26(14-16-27)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2