N-(3-ethanoylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H25N3OS/c1-16-6-8-18(9-7-16)15-23-10-12-24(13-11-23)21(26)22-20-5-3-4-19(14-20)17(2)25/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)