N-(2-methoxy-4-nitro-phenyl)-4-[(2R)-oxolan-2-yl]carbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[(2R)-oxolan-2-yl]carbonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C(=O)[C@H]3CCCO3

InChI

InChI=1S/C17H22N4O5S/c1-25-15-11-12(21(23)24)4-5-13(15)18-17(27)20-8-6-19(7-9-20)16(22)14-3-2-10-26-14/h4-5,11,14H,2-3,6-10H2,1H3,(H,18,27)/t14-/m1/s1