4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]-N-(2-phenylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]-N-(2-phenylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-phenylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-phenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-phenylphenyl)piperazine-1-carbothioamide Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C(=S)NC4=CC=CC=C4C5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OC[C@@H](CN3CCN(CC3)C(=S)NC4=CC=CC=C4C5=CC=CC=C5)O

InChI

InChI=1S/C28H30N4O2S2/c1-20-29-26-17-23(11-12-27(26)36-20)34-19-22(33)18-31-13-15-32(16-14-31)28(35)30-25-10-6-5-9-24(25)21-7-3-2-4-8-21/h2-12,17,22,33H,13-16,18-19H2,1H3,(H,30,35)/t22-/m1/s1