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

Systemtic Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamate Openeye Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamate CAS Name: N-[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioyl]-N-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]carbamate Traditional Name: N-[(4-chlorobenzyl)thiocarbamoyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid tert-butyl ester Formula: C23H26ClN3O3S2 MolecularWeight: 492.05384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O3S2/c1-14-20(31)26-18-11-16(7-10-19(18)29-14)13-27(22(28)30-23(2,3)4)21(32)25-12-15-5-8-17(24)9-6-15/h5-11,14H,12-13H2,1-4H3,(H,25,32)(H,26,31)