4-[(2,5-dimethoxyphenyl)methyl]-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2,5-dimethoxybenzyl)piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-25-19-8-9-20(26-2)18(14-19)16-23-10-12-24(13-11-23)21(27)22-15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,27)