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

Systemtic Name: 4-[(4-ethylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioate Openeye Name: 4-[(4-ethylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioate CAS Name: 4-[[(4-ethyl-1-piperazinyl)-oxomethyl]amino]-5-phenylpentanethioate IUPAC Name: 4-[(4-ethylpiperazine-1-carbonyl)amino]-5-phenylpentanethioate Traditional Name: 4-[(4-ethylpiperazine-1-carbonyl)amino]-5-phenyl-thiovalerate Formula: C18H26N3O2S- MolecularWeight: 348.48294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCN1CCN(CC1)C(=O)NC(CCC(=S)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2S/c1-2-20-10-12-21(13-11-20)18(23)19-16(8-9-17(22)24)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,19,23)(H,22,24)/p-1