2-methoxyethyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[2-(phenylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(phenylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5S/c1-28-13-14-29-19(26)12-11-18(25)24-21(30)23-17-10-6-5-9-16(17)20(27)22-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,27)(H2,23,24,25,30)