tert-butyl N-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[(4-chlorophenyl)methylcarbamothioyl]carbamate

Systemtic Name: tert-butyl N-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[(4-chlorophenyl)methylcarbamothioyl]carbamate Openeye Name: tert-butyl N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[(4-chlorophenyl)methylcarbamothioyl]carbamate CAS Name: N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[(4-chlorophenyl)methylcarbamothioyl]carbamate Traditional Name: N-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)methyl]-N-[(4-chlorobenzyl)thiocarbamoyl]carbamic acid tert-butyl ester Formula: C23H27ClN4O3S MolecularWeight: 475.00348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NC2=C(O1)C=CC(=C2)CN(C(=S)NCC3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1C(=NC2=C(O1)C=CC(=C2)CN(C(=S)NCC3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C23H27ClN4O3S/c1-14-20(25)27-18-11-16(7-10-19(18)30-14)13-28(22(29)31-23(2,3)4)21(32)26-12-15-5-8-17(24)9-6-15/h5-11,14H,12-13H2,1-4H3,(H2,25,27)(H,26,32)