1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione

Systemtic Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione Openeye Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione CAS Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-imidazolethione IUPAC Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]imidazole-2-thione Traditional Name: 1-cyclopentyl-4,5-dimethyl-3-[[4-(4-nitrophenyl)piperazino]methyl]-4-imidazoline-2-thione Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)N1CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=S)N1CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-16-17(2)25(19-5-3-4-6-19)21(29)24(16)15-22-11-13-23(14-12-22)18-7-9-20(10-8-18)26(27)28/h7-10,19H,3-6,11-15H2,1-2H3