3-[(4-naphthalen-2-yl-2-piperazin-1-yl-1,3-thiazol-5-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-naphthalen-2-yl-2-piperazin-1-yl-1,3-thiazol-5-yl)sulfanyl]propanoic acid Openeye Name: 3-[4-(2-naphthyl)-2-piperazin-1-yl-thiazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[4-(2-naphthalenyl)-2-(1-piperazinyl)-5-thiazolyl]thio]propanoic acid IUPAC Name: 3-[(4-naphthalen-2-yl-2-piperazin-1-yl-1,3-thiazol-5-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-(2-naphthyl)-2-piperazino-thiazol-5-yl]thio]propionic acid Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C(S2)SCCC(=O)O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1)C2=NC(=C(S2)SCCC(=O)O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21N3O2S2/c24-17(25)7-12-26-19-18(22-20(27-19)23-10-8-21-9-11-23)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,21H,7-12H2,(H,24,25)