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

Systemtic Name: (4-nitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(4-nitrophenyl)methanethione CAS Name: (4-nitrophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(4-nitrophenyl)methanethione Traditional Name: (4-benzylpiperazino)-(4-nitrophenyl)methanethione Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c22-21(23)17-8-6-16(7-9-17)18(24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2