methyl 4-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)16-7-5-15(6-8-16)21(29)24-17-9-11-18(12-10-17)25-22(31)26-19(27)13-14-20(28)30-4/h5-12H,13-14H2,1-4H3,(H,24,29)(H2,25,26,27,31)