ethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(pivaloylamino)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-5-25-15(23)10-9-14(22)21-17(26)20-13-8-6-7-12(11-13)19-16(24)18(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,19,24)(H2,20,21,22,26)