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

Systemtic Name: 4-[[2,3-bis(oxidanyl)propylamino]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-[(2,3-dihydroxypropylamino)methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[(2,3-dihydroxypropylamino)methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(2,3-dihydroxypropylamino)methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[(glycerylamino)methyl]benzamide Formula: C28H33N5O5S2 MolecularWeight: 583.72212

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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)CNCC(CO)O

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O5S2/c1-19(35)32-9-11-33(12-10-32)27(38)23-4-2-3-21(13-23)18-39-25-16-30-28(40-25)31-26(37)22-7-5-20(6-8-22)14-29-15-24(36)17-34/h2-8,13,16,24,29,34,36H,9-12,14-15,17-18H2,1H3,(H,30,31,37)