N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-nosyl-piperazine-1-carbothioamide Formula: C16H18N4O5S2 MolecularWeight: 410.46792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S2/c21-20(22)13-3-5-15(6-4-13)27(23,24)19-9-7-18(8-10-19)16(26)17-12-14-2-1-11-25-14/h1-6,11H,7-10,12H2,(H,17,26)