4-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-(1,3-dihydroxypropan-2-yloxymethyl)benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-(1,3-dihydroxypropan-2-yloxymethyl)benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[(2-hydroxy-1-methylol-ethoxy)methyl]benzamide Formula: C28H32N4O6S2 MolecularWeight: 584.70688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)COC(CO)CO

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)COC(CO)CO

InChI

InChI=1S/C28H32N4O6S2/c1-19(35)31-9-11-32(12-10-31)27(37)23-4-2-3-21(13-23)18-39-25-14-29-28(40-25)30-26(36)22-7-5-20(6-8-22)17-38-24(15-33)16-34/h2-8,13-14,24,33-34H,9-12,15-18H2,1H3,(H,29,30,36)