N-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-o-phenetyl-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c1-2-25-18-6-4-3-5-17(18)23-9-11-24(12-10-23)21(28)22-14-16-7-8-19-20(13-16)27-15-26-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,28)