6-(2-methylbutan-2-yl)-4-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-methylbutan-2-yl)-4-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]methyl]-6-(1,1-dimethylpropyl)-1,4-benzoxazin-3-one CAS Name: 6-(2-methylbutan-2-yl)-4-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-thiazolyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 6-tert-amyl-4-[[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O3S/c1-4-29(2,3)22-10-11-25-24(16-22)33(27(34)19-36-25)18-26-30-23(20-37-26)28(35)32-14-12-31(13-15-32)17-21-8-6-5-7-9-21/h5-11,16,20H,4,12-15,17-19H2,1-3H3