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

Systemtic Name: 4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]-N-(4-phenylmethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbothioamide CAS Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(4-phenylmethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-(4-phenylmethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbothioamide Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OC[C@@H](CN3CCN(CC3)C(=S)NC4=CC=C(C=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C29H32N4O3S2/c1-21-30-27-17-26(11-12-28(27)38-21)36-20-24(34)18-32-13-15-33(16-14-32)29(37)31-23-7-9-25(10-8-23)35-19-22-5-3-2-4-6-22/h2-12,17,24,34H,13-16,18-20H2,1H3,(H,31,37)/t24-/m1/s1