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

Systemtic Name: N-(3,5-dimethylphenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-15-12-16(2)14-18(13-15)21-20(25)23-10-8-22(9-11-23)19(24)17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3,(H,21,25)