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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(o-tolyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S/c1-15-4-2-3-5-17(15)22-8-10-23(11-9-22)20(26)21-13-16-6-7-18-19(12-16)25-14-24-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,26)