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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carbothioamide Openeye Name: N-isobutyl-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carbothioamide Traditional Name: N-isobutyl-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NCC(C)C

InChI

InChI=1S/C17H27N3S/c1-14(2)12-18-17(21)20-9-7-19(8-10-20)13-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,18,21)