phenethyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O7S/c1-30-17-13-16(14-18(31-2)21(17)32-3)22(29)25-26-23(34)24-19(27)9-10-20(28)33-12-11-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,25,29)(H2,24,26,27,34)