propyl 4-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1)C

InChI

InChI=1S/C17H23N3O5S/c1-3-9-24-16(23)8-7-14(21)18-17(26)20-19-15(22)11-25-13-6-4-5-12(2)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,19,22)(H2,18,20,21,26)