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

Systemtic Name: methyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(pivaloylamino)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-17(2,3)15(23)18-11-6-5-7-12(10-11)19-16(25)20-13(21)8-9-14(22)24-4/h5-7,10H,8-9H2,1-4H3,(H,18,23)(H2,19,20,21,25)