N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H27N3S/c1-16-5-8-19(9-6-16)15-23-10-12-24(13-11-23)21(25)22-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)