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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[[1-oxidanyl-3-(3H-pyrrol-5-yl)propan-2-yl]amino]methyl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[[[1-(hydroxymethyl)-2-(3H-pyrrol-5-yl)ethyl]amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[[[1-hydroxy-3-(3H-pyrrol-5-yl)propan-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-(3H-pyrrol-5-yl)propan-2-yl]amino]methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[[1-methylol-2-(3H-pyrrol-5-yl)ethyl]amino]methyl]benzamide Formula: C32H36N6O4S2 MolecularWeight: 632.79604

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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(CC5=CCC=N5)CO

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(CC5=CCC=N5)CO

InChI

InChI=1S/C32H36N6O4S2/c1-22(40)37-12-14-38(15-13-37)31(42)26-5-2-4-24(16-26)21-43-29-19-35-32(44-29)36-30(41)25-9-7-23(8-10-25)18-34-28(20-39)17-27-6-3-11-33-27/h2,4-11,16,19,28,34,39H,3,12-15,17-18,20-21H2,1H3,(H,35,36,41)