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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(2-methyl-3-oxidanyl-hexan-2-yl)amino]methyl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[[(2-hydroxy-1,1-dimethyl-pentyl)amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[[(3-hydroxy-2-methylhexan-2-yl)amino]methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(3-hydroxy-2-methylhexan-2-yl)amino]methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[(2-hydroxy-1,1-dimethyl-pentyl)amino]methyl]benzamide Formula: C32H41N5O4S2 MolecularWeight: 623.82904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)NCC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C)O

Isomeric SMILES

CCCC(C(C)(C)NCC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C)O

InChI

InChI=1S/C32H41N5O4S2/c1-5-7-27(39)32(3,4)34-19-23-10-12-25(13-11-23)29(40)35-31-33-20-28(43-31)42-21-24-8-6-9-26(18-24)30(41)37-16-14-36(15-17-37)22(2)38/h6,8-13,18,20,27,34,39H,5,7,14-17,19,21H2,1-4H3,(H,33,35,40)