(1R,2R)-2-(1,3-benzothiazol-2-yl)-N-methyl-1-oxidanylidene-thiane-2-carbothioamide

Systemtic Name: (1R,2R)-2-(1,3-benzothiazol-2-yl)-N-methyl-1-oxidanylidene-thiane-2-carbothioamide Openeye Name: (1R,2R)-2-(1,3-benzothiazol-2-yl)-N-methyl-1-oxo-thiane-2-carbothioamide CAS Name: (1R,2R)-2-(1,3-benzothiazol-2-yl)-N-methyl-1-oxo-2-thianecarbothioamide IUPAC Name: (1R,2R)-2-(1,3-benzothiazol-2-yl)-N-methyl-1-oxothiane-2-carbothioamide Traditional Name: (1R,2R)-2-(1,3-benzothiazol-2-yl)-1-keto-N-methyl-thiane-2-carbothioamide Formula: C14H16N2OS3 MolecularWeight: 324.48464

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCS1=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[S@]1=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H16N2OS3/c1-15-12(18)14(8-4-5-9-20(14)17)13-16-10-6-2-3-7-11(10)19-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,18)/t14-,20+/m0/s1