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

Systemtic Name: propyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H31N3O4S/c1-5-15-32-22(30)14-13-21(29)28-24(33)27-20-8-6-7-19(16-20)26-23(31)17-9-11-18(12-10-17)25(2,3)4/h6-12,16H,5,13-15H2,1-4H3,(H,26,31)(H2,27,28,29,33)