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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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