[5-(2-nitrophenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(2-nitrophenyl)furan-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[5-(2-nitrophenyl)-2-furyl]methanethione CAS Name: [5-(2-nitrophenyl)-2-furanyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[5-(2-nitrophenyl)furan-2-yl]methanethione Traditional Name: (4-benzylpiperazino)-[5-(2-nitrophenyl)-2-furyl]methanethione Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c26-25(27)19-9-5-4-8-18(19)20-10-11-21(28-20)22(29)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-11H,12-16H2