5-phenyl-4-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanethioate

Systemtic Name: 5-phenyl-4-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanethioate Openeye Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioate CAS Name: 4-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-5-phenylpentanethioate IUPAC Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenylpentanethioate Traditional Name: 4-[(4-benzylpiperazine-1-carbonyl)amino]-5-phenyl-thiovalerate Formula: C23H28N3O2S- MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC(CCC(=S)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)NC(CCC(=S)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c27-22(29)12-11-21(17-19-7-3-1-4-8-19)24-23(28)26-15-13-25(14-16-26)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,24,28)(H,27,29)/p-1