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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H25N3O2S/c1-15-4-3-5-18(16(15)2)23-8-10-24(11-9-23)21(27)22-13-17-6-7-19-20(12-17)26-14-25-19/h3-7,12H,8-11,13-14H2,1-2H3,(H,22,27)