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

Systemtic Name: 4-[[[1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]amino]methyl]-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)-2-phenyl-ethyl]amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[(2-hydroxy-1-methylol-2-phenyl-ethyl)amino]methyl]benzamide Formula: C34H37N5O5S2 MolecularWeight: 659.81808

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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)CNC(CO)C(C5=CC=CC=C5)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(CO)C(C5=CC=CC=C5)O

InChI

InChI=1S/C34H37N5O5S2/c1-23(41)38-14-16-39(17-15-38)33(44)28-9-5-6-25(18-28)22-45-30-20-36-34(46-30)37-32(43)27-12-10-24(11-13-27)19-35-29(21-40)31(42)26-7-3-2-4-8-26/h2-13,18,20,29,31,35,40,42H,14-17,19,21-22H2,1H3,(H,36,37,43)