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

Systemtic Name: N-methyl-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-methyl-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-methyl-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-methyl-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC

InChI

InChI=1S/C14H21N3S/c1-12-5-3-4-6-13(12)11-16-7-9-17(10-8-16)14(18)15-2/h3-6H,7-11H2,1-2H3,(H,15,18)