methyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(isobutyrylamino)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)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

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