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

Systemtic Name: methyl 4-oxidanylidene-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(isopropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[2-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(isopropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-10(2)17-15(22)11-6-4-5-7-12(11)18-16(24)19-13(20)8-9-14(21)23-3/h4-7,10H,8-9H2,1-3H3,(H,17,22)(H2,18,19,20,24)