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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpiperazine-1-carbothioamide Traditional Name: N-cyclopentyl-4-piperonyl-piperazine-1-carbothioamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O2S/c24-18(19-15-3-1-2-4-15)21-9-7-20(8-10-21)12-14-5-6-16-17(11-14)23-13-22-16/h5-6,11,15H,1-4,7-10,12-13H2,(H,19,24)