ethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(butanoylamino)-2-chlorophenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-butyramido-2-chloro-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H22ClN3O4S MolecularWeight: 399.89228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C17H22ClN3O4S/c1-3-5-14(22)19-11-6-7-12(18)13(10-11)20-17(26)21-15(23)8-9-16(24)25-4-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,22)(H2,20,21,23,26)