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

Systemtic Name: 2-methoxyethyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(diethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C19H27N3O5S/c1-4-22(5-2)18(25)14-6-8-15(9-7-14)20-19(28)21-16(23)10-11-17(24)27-13-12-26-3/h6-9H,4-5,10-13H2,1-3H3,(H2,20,21,23,28)