N-(2,5-dimethylphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H25N3OS/c1-15-4-5-16(2)20(14-15)22-21(26)24-12-10-23(11-13-24)19-8-6-18(7-9-19)17(3)25/h4-9,14H,10-13H2,1-3H3,(H,22,26)