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

Systemtic Name: ethyl 4-[[2-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(ethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C16H21N3O4S/c1-3-17-15(22)11-7-5-6-8-12(11)18-16(24)19-13(20)9-10-14(21)23-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,22)(H2,18,19,20,24)