[4-bromanyl-2-[[4-tert-butyl-5-(4-phenylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl] ethanoate

Systemtic Name: [4-bromanyl-2-[[4-tert-butyl-5-(4-phenylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl] ethanoate Openeye Name: [4-bromo-2-[[4-tert-butyl-5-(4-phenylpiperazin-1-yl)thiazol-2-yl]carbamoyl]phenyl] acetate CAS Name: acetic acid [4-bromo-2-[[[4-tert-butyl-5-(4-phenyl-1-piperazinyl)-2-thiazolyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-bromo-2-[[4-tert-butyl-5-(4-phenylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [4-bromo-2-[[4-tert-butyl-5-(4-phenylpiperazino)thiazol-2-yl]carbamoyl]phenyl] ester Formula: C26H29BrN4O3S MolecularWeight: 557.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=NC(=C(S2)N3CCN(CC3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=NC(=C(S2)N3CCN(CC3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C26H29BrN4O3S/c1-17(32)34-21-11-10-18(27)16-20(21)23(33)29-25-28-22(26(2,3)4)24(35-25)31-14-12-30(13-15-31)19-8-6-5-7-9-19/h5-11,16H,12-15H2,1-4H3,(H,28,29,33)