methyl 4-oxidanylidene-4-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-27-19(26)11-10-17(24)23-20(29)22-15-7-5-6-14(12-15)21-18(25)13-28-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,21,25)(H2,22,23,24,29)