ethyl (E)-4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H27N3O4S/c1-5-31-21(29)14-13-20(28)27-23(32)26-19-8-6-7-18(15-19)25-22(30)16-9-11-17(12-10-16)24(2,3)4/h6-15H,5H2,1-4H3,(H,25,30)(H2,26,27,28,32)/b14-13+