N-(2-methoxy-4-nitro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S/c1-28-17-12-15(23(26)27)6-7-16(17)19-18(29)21-10-8-20(9-11-21)13-2-4-14(5-3-13)22(24)25/h2-7,12H,8-11H2,1H3,(H,19,29)