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

Systemtic Name: N-butyl-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-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=C2C

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=CC=CC=C2C

InChI

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