N-(4-ethanoylphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)C

InChI

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