ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]carbamate CAS Name: N-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]carbamate Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]phenyl]carbamic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H29N3O2S/c1-5-27-21(26)25-19-12-8-17(9-13-19)15-24-20(28)23-14-16-6-10-18(11-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,25,26)(H2,23,24,28)