N-(2,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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