methyl 4-[[2-(butylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(butylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(butylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(butylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(butylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-3-4-11-18-16(23)12-7-5-6-8-13(12)19-17(25)20-14(21)9-10-15(22)24-2/h5-8H,3-4,9-11H2,1-2H3,(H,18,23)(H2,19,20,21,25)