2-[(4-methylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioic S-acid

Systemtic Name: 2-[(4-methylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioic S-acid Openeye Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioic S-acid CAS Name: 2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenylpentanethioic S-acid Traditional Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenyl-thiovaleric acid Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CCCC2=CC=CC=C2)C(=O)S

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CCCC2=CC=CC=C2)C(=O)S

InChI

InChI=1S/C17H25N3O2S/c1-19-10-12-20(13-11-19)17(22)18-15(16(21)23)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,18,22)(H,21,23)