2-methoxyethyl 4-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C20H29N3O6S/c1-4-14(2)15-7-5-6-8-16(15)29-13-18(25)22-23-20(30)21-17(24)9-10-19(26)28-12-11-27-3/h5-8,14H,4,9-13H2,1-3H3,(H,22,25)(H2,21,23,24,30)