N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylthiazol-2-yl)piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-2-thiazolyl)-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbothioamide Traditional Name: 4-(4-tert-butylthiazol-2-yl)-N-piperonyl-piperidine-1-carbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O2S2/c1-21(2,3)18-12-28-19(23-18)15-6-8-24(9-7-15)20(27)22-11-14-4-5-16-17(10-14)26-13-25-16/h4-5,10,12,15H,6-9,11,13H2,1-3H3,(H,22,27)