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

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)sulfonyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)sulfonyl-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-nosyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C16H22N4O5S2 MolecularWeight: 414.49968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5S2/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/h3-6,14H,1-2,7-12H2,(H,17,26)