methyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-allyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[(4-prop-2-enoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-allyloxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC=C

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC=C

InChI

InChI=1S/C16H19N3O5S/c1-3-10-24-12-6-4-11(5-7-12)15(22)18-19-16(25)17-13(20)8-9-14(21)23-2/h3-7H,1,8-10H2,2H3,(H,18,22)(H2,17,19,20,25)