(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-piperonyl-piperidine-1-carbothioamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O2S2/c27-21(22-12-14-8-9-17-18(11-14)26-13-25-17)24-10-4-3-6-16(24)20-23-15-5-1-2-7-19(15)28-20/h1-2,5,7-9,11,16H,3-4,6,10,12-13H2,(H,22,27)/t16-/m1/s1