(2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)morpholine-4-carbothioamide

Systemtic Name: (2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)morpholine-4-carbothioamide Openeye Name: (2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)morpholine-4-carbothioamide CAS Name: (2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)-4-morpholinecarbothioamide IUPAC Name: (2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)morpholine-4-carbothioamide Traditional Name: (2S,6S)-2,6-dimethyl-N-(3-nitrophenyl)morpholine-4-carbothioamide Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-9-7-15(8-10(2)19-9)13(20)14-11-4-3-5-12(6-11)16(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,14,20)/t9-,10-/m0/s1