4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S2/c1-27-16-6-8-17(9-7-16)29(25,26)21-12-10-20(11-13-21)18(28)19-14-2-4-15(5-3-14)22(23)24/h2-9H,10-13H2,1H3,(H,19,28)