tert-butyl N-[5-[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]sulfanyl-1,3-thiazol-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-oxidanyl-phenyl]sulfanyl-1,3-thiazol-2-yl]carbamate Openeye Name: tert-butyl N-[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]sulfanylthiazol-2-yl]carbamate CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-hydroxyphenyl]thio]-2-thiazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxyphenyl]sulfanyl-1,3-thiazol-2-yl]carbamate Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4-hydroxy-phenyl]thio]thiazol-2-yl]carbamic acid tert-butyl ester Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC3=CN=C(S3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H26N4O5S2/c1-13(26)24-7-9-25(10-8-24)18(28)15-11-14(5-6-16(15)27)31-17-12-22-19(32-17)23-20(29)30-21(2,3)4/h5-6,11-12,27H,7-10H2,1-4H3,(H,22,23,29)