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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC2=CC=CC(=C2)C

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C17H27N3S/c1-3-4-8-18-17(21)20-11-9-19(10-12-20)14-16-7-5-6-15(2)13-16/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,18,21)