2-methoxyethyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)18-10-8-17(9-11-18)23(31)26-19-6-5-7-20(16-19)27-24(34)28-21(29)12-13-22(30)33-15-14-32-4/h5-11,16H,12-15H2,1-4H3,(H,26,31)(H2,27,28,29,34)