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

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(2-oxidanyl-1-phenyl-ethyl)amino]methyl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[[(2-hydroxy-1-phenyl-ethyl)amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[[(2-hydroxy-1-phenylethyl)amino]methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[[(2-hydroxy-1-phenylethyl)amino]methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[(2-hydroxy-1-phenyl-ethyl)amino]methyl]benzamide Formula: C33H35N5O4S2 MolecularWeight: 629.7921

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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)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C33H35N5O4S2/c1-23(40)37-14-16-38(17-15-37)32(42)28-9-5-6-25(18-28)22-43-30-20-35-33(44-30)36-31(41)27-12-10-24(11-13-27)19-34-29(21-39)26-7-3-2-4-8-26/h2-13,18,20,29,34,39H,14-17,19,21-22H2,1H3,(H,35,36,41)