(2R,6R)-N-(2-chloranyl-5-nitro-phenyl)-2,6-dimethyl-morpholine-4-carbothioamide

Systemtic Name: (2R,6R)-N-(2-chloranyl-5-nitro-phenyl)-2,6-dimethyl-morpholine-4-carbothioamide Openeye Name: (2R,6R)-N-(2-chloro-5-nitro-phenyl)-2,6-dimethyl-morpholine-4-carbothioamide CAS Name: (2R,6R)-N-(2-chloro-5-nitrophenyl)-2,6-dimethyl-4-morpholinecarbothioamide IUPAC Name: (2R,6R)-N-(2-chloro-5-nitrophenyl)-2,6-dimethylmorpholine-4-carbothioamide Traditional Name: (2R,6R)-N-(2-chloro-5-nitro-phenyl)-2,6-dimethyl-morpholine-4-carbothioamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-8-6-16(7-9(2)20-8)13(21)15-12-5-10(17(18)19)3-4-11(12)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,21)/t8-,9-/m1/s1