3-[4-(phenylmethyl)piperazin-1-yl]pentanethioamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]pentanethioamide Openeye Name: 3-(4-benzylpiperazin-1-yl)pentanethioamide CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]pentanethioamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)pentanethioamide Traditional Name: 3-(4-benzylpiperazino)thiovaleramide Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)N)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC(=S)N)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3S/c1-2-15(12-16(17)20)19-10-8-18(9-11-19)13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,20)