2-methoxyethyl 4-oxidanylidene-4-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S/c1-29-12-13-30-20(27)11-10-19(26)25-22(31)24-18-9-5-8-17(14-18)21(28)23-15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,28)(H2,24,25,26,31)