3-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid

Systemtic Name: 3-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid Openeye Name: 3-[C-(4-methylpiperazin-1-yl)-N-phenyl-carbonimidoyl]sulfanylpropanoic acid CAS Name: 3-[[(4-methyl-1-piperazinyl)-phenyliminomethyl]thio]propanoic acid IUPAC Name: 3-[C-(4-methylpiperazin-1-yl)-N-phenylcarbonimidoyl]sulfanylpropanoic acid Traditional Name: 3-[[C-(4-methylpiperazino)-N-phenyl-carbonimidoyl]thio]propionic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCCC(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCCC(=O)O

InChI

InChI=1S/C15H21N3O2S/c1-17-8-10-18(11-9-17)15(21-12-7-14(19)20)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,20)