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

Systemtic Name: phenethyl 4-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(3,4-dimethoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(veratroylamino)thiocarbamoylamino]butyric acid phenethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H25N3O6S/c1-29-17-9-8-16(14-18(17)30-2)21(28)24-25-22(32)23-19(26)10-11-20(27)31-13-12-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,24,28)(H2,23,25,26,32)