[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methanethione CAS Name: [5-(2-chloro-4-nitrophenyl)-2-furanyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methanethione Traditional Name: (4-benzylpiperazino)-[5-(2-chloro-4-nitro-phenyl)-2-furyl]methanethione Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClN3O3S/c23-19-14-17(26(27)28)6-7-18(19)20-8-9-21(29-20)22(30)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2