tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamate Openeye Name: tert-butyl N-[[4-[(tert-butoxycarbonylamino)methyl]phenyl]methyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamate CAS Name: N-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamate Traditional Name: N-[4-[(tert-butoxycarbonylamino)methyl]benzyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid tert-butyl ester Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)CN(CC3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)CN(CC3=CC=C(C=C3)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H37N3O5S/c1-18-24(37)30-22-14-21(12-13-23(22)34-18)17-31(26(33)36-28(5,6)7)16-20-10-8-19(9-11-20)15-29-25(32)35-27(2,3)4/h8-14,18H,15-17H2,1-7H3,(H,29,32)(H,30,37)