(4-tert-butylphenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione CAS Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)piperazino]methanethione Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)17-9-7-16(8-10-17)20(27)23-13-11-22(12-14-23)18-5-4-6-19(15-18)24(25)26/h4-10,15H,11-14H2,1-3H3