N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(1-oxidanylpropan-2-ylamino)methyl]benzamide

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(1-oxidanylpropan-2-ylamino)methyl]benzamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-4-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]benzamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-4-[(1-hydroxypropan-2-ylamino)methyl]benzamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(1-hydroxypropan-2-ylamino)methyl]benzamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-4-[[(2-hydroxy-1-methyl-ethyl)amino]methyl]benzamide Formula: C28H33N5O4S2 MolecularWeight: 567.72272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O4S2/c1-19(17-34)29-15-21-6-8-23(9-7-21)26(36)31-28-30-16-25(39-28)38-18-22-4-3-5-24(14-22)27(37)33-12-10-32(11-13-33)20(2)35/h3-9,14,16,19,29,34H,10-13,15,17-18H2,1-2H3,(H,30,31,36)