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

Systemtic Name: 4-[(4-phenethylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioate Openeye Name: 4-[(4-phenethylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioate CAS Name: 4-[[oxo-(4-phenethyl-1-piperazinyl)methyl]amino]-5-phenylpentanethioate IUPAC Name: 4-[(4-phenethylpiperazine-1-carbonyl)amino]-5-phenylpentanethioate Traditional Name: 4-[(4-phenethylpiperazine-1-carbonyl)amino]-5-phenyl-thiovalerate Formula: C24H30N3O2S- MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC(CCC(=S)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=O)NC(CCC(=S)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c28-23(30)12-11-22(19-21-9-5-2-6-10-21)25-24(29)27-17-15-26(16-18-27)14-13-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,29)(H,28,30)/p-1