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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N1CCN(CC1)CC2=CC=CC(=C2)C

Isomeric SMILES

CCC(C)NC(=S)N1CCN(CC1)CC2=CC=CC(=C2)C

InChI

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