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

Systemtic Name: 4-[[(3,3-dimethyl-1-oxidanyl-butan-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-[[[1-(hydroxymethyl)-2,2-dimethyl-propyl]amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[(2,2-dimethyl-1-methylol-propyl)amino]methyl]benzamide Formula: C31H39N5O4S2 MolecularWeight: 609.80246

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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(C)(C)C

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(C)(C)C

InChI

InChI=1S/C31H39N5O4S2/c1-21(38)35-12-14-36(15-13-35)29(40)25-7-5-6-23(16-25)20-41-27-18-33-30(42-27)34-28(39)24-10-8-22(9-11-24)17-32-26(19-37)31(2,3)4/h5-11,16,18,26,32,37H,12-15,17,19-20H2,1-4H3,(H,33,34,39)