4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylpiperazine-1-carbothioamide Traditional Name: N-tert-butyl-4-piperonyl-piperazine-1-carbothioamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)18-16(23)20-8-6-19(7-9-20)11-13-4-5-14-15(10-13)22-12-21-14/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,23)