tert-butyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-26(2,3)33-25(32)28-21-11-7-10-20(16-21)24(31)30-14-12-29(13-15-30)17-22-18-34-23(27-22)19-8-5-4-6-9-19/h4-11,16,18H,12-15,17H2,1-3H3,(H,28,32)/p+1