ethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(ethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(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=C1)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

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

InChI

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