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

Systemtic Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-ethyl]carbamate CAS Name: N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-phenylethyl]carbamate Traditional Name: N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-14-20(28)23-18-13-16(10-11-19(18)26-14)17(12-15-8-6-5-7-9-15)24-21(25)27-22(2,3)4/h5-11,13-14,17H,12H2,1-4H3,(H,23,28)(H,24,25)