N-(3,5-dimethylphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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