N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carbothioamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carbothioamide Openeye Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carbothioamide CAS Name: N-[4-[(2S,6S)-2,6-dimethyl-4-morpholinyl]phenyl]-4-thiomorpholinecarbothioamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]thiomorpholine-4-carbothioamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylmorpholino]phenyl]thiomorpholine-4-carbothioamide Formula: C17H25N3OS2 MolecularWeight: 351.5299

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=S)N3CCSCC3

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=CC=C(C=C2)NC(=S)N3CCSCC3

InChI

InChI=1S/C17H25N3OS2/c1-13-11-20(12-14(2)21-13)16-5-3-15(4-6-16)18-17(22)19-7-9-23-10-8-19/h3-6,13-14H,7-12H2,1-2H3,(H,18,22)/t13-,14-/m0/s1