N-butyl-4-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(o-tolyl)piperazine-1-carbothioamide Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=CC=CC=C2C

InChI

InChI=1S/C16H25N3S/c1-3-4-9-17-16(20)19-12-10-18(11-13-19)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3,(H,17,20)