phenethyl 4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[(2-propoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[(2-propoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(2-propoxybenzoyl)amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5S/c1-2-15-30-19-11-7-6-10-18(19)22(29)25-26-23(32)24-20(27)12-13-21(28)31-16-14-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,25,29)(H2,24,26,27,32)