N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-phenethyl-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)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

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