N-pentyl-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-pentyl-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-pentyl-piperazine-1-carbothioamide CAS Name: N-pentyl-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-pentylpiperazine-1-carbothioamide Traditional Name: N-amyl-4-benzyl-piperazine-1-carbothioamide Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=S)N1CCN(CC1)CC2=CC=CC=C2

InChI

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