methyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(4-isobutoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-isobutoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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