4-(4-ethanoylphenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

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