ethyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-oxo-4-[[3-(sec-butylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-12(3)19-17(24)13-7-6-8-14(11-13)20-18(26)21-15(22)9-10-16(23)25-5-2/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,24)(H2,20,21,22,26)