propyl 4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(veratroylamino)thiocarbamoylamino]butyric acid propyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-4-9-26-15(22)8-7-14(21)18-17(27)20-19-16(23)11-5-6-12(24-2)13(10-11)25-3/h5-6,10H,4,7-9H2,1-3H3,(H,19,23)(H2,18,20,21,27)