5-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[2-[4-(3-nitrophenyl)-1-piperazinyl]ethyl]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[2-[4-(3-nitrophenyl)piperazino]ethyl]-1,3-dihydrobenzimidazole-2-thione Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=S)N3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=S)N3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2S/c25-24(26)16-3-1-2-15(13-16)23-10-8-22(9-11-23)7-6-14-4-5-17-18(12-14)21-19(27)20-17/h1-5,12-13H,6-11H2,(H2,20,21,27)