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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCCO

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NCCCO

InChI

InChI=1S/C18H25N3O6S/c1-26-11-12-27-16(24)8-7-15(23)21-18(28)20-14-6-3-2-5-13(14)17(25)19-9-4-10-22/h2-3,5-6,22H,4,7-12H2,1H3,(H,19,25)(H2,20,21,23,28)