2-[(4-methylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioate hydrochloride

Systemtic Name: 2-[(4-methylpiperazin-1-yl)carbonylamino]-5-phenyl-pentanethioate hydrochloride Openeye Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenyl-pentanethioate hydrochloride CAS Name: 2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-5-phenylpentanethioate hydrochloride IUPAC Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenylpentanethioate hydrochloride Traditional Name: 2-[(4-methylpiperazine-1-carbonyl)amino]-5-phenyl-thiovalerate hydrochloride Formula: C17H25ClN3O2S- MolecularWeight: 370.9173

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC(CCCC2=CC=CC=C2)C(=S)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)NC(CCCC2=CC=CC=C2)C(=S)[O-].Cl

InChI

InChI=1S/C17H25N3O2S.ClH/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);1H/p-1