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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC=CC=C3C

InChI

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