4-(4-methoxyphenyl)-3-methyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)-3-methyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)-3-methyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)-3-methyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)-3-methyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)-3-methyl-N-phenethyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17-16-23(21(26)22-13-12-18-6-4-3-5-7-18)14-15-24(17)19-8-10-20(25-2)11-9-19/h3-11,17H,12-16H2,1-2H3,(H,22,26)