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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbothioamide Traditional Name: 4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(COC3=CC4=C(C=C3)SC(=N4)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C[C@H](COC3=CC4=C(C=C3)SC(=N4)C)O

InChI

InChI=1S/C24H30N4O3S2/c1-3-30-20-6-4-18(5-7-20)26-24(32)28-12-10-27(11-13-28)15-19(29)16-31-21-8-9-23-22(14-21)25-17(2)33-23/h4-9,14,19,29H,3,10-13,15-16H2,1-2H3,(H,26,32)/t19-/m1/s1