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

Systemtic Name: 4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(o-tolyl)piperazine-1-carbothioamide Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)CC(COC3=CC4=C(C=C3)SC(=N4)C)O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C[C@H](COC3=CC4=C(C=C3)SC(=N4)C)O

InChI

InChI=1S/C23H28N4O2S2/c1-16-5-3-4-6-20(16)25-23(30)27-11-9-26(10-12-27)14-18(28)15-29-19-7-8-22-21(13-19)24-17(2)31-22/h3-8,13,18,28H,9-12,14-15H2,1-2H3,(H,25,30)/t18-/m1/s1