[4-(4-methylphenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione

Systemtic Name: [4-(4-methylphenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione Openeye Name: [5-(3-nitrophenyl)-2-furyl]-[4-(p-tolyl)piperazin-1-yl]methanethione CAS Name: [4-(4-methylphenyl)-1-piperazinyl]-[5-(3-nitrophenyl)-2-furanyl]methanethione IUPAC Name: [4-(4-methylphenyl)piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanethione Traditional Name: [5-(3-nitrophenyl)-2-furyl]-[4-(p-tolyl)piperazino]methanethione Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c1-16-5-7-18(8-6-16)23-11-13-24(14-12-23)22(29)21-10-9-20(28-21)17-3-2-4-19(15-17)25(26)27/h2-10,15H,11-14H2,1H3