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

Systemtic Name: 2-methoxyethyl 4-[[4-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(ethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-18-16(23)12-4-6-13(7-5-12)19-17(26)20-14(21)8-9-15(22)25-11-10-24-2/h4-7H,3,8-11H2,1-2H3,(H,18,23)(H2,19,20,21,26)