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

Systemtic Name: propyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[3-(2-methylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(isobutyrylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-4-10-25-16(23)9-8-15(22)21-18(26)20-14-7-5-6-13(11-14)19-17(24)12(2)3/h5-7,11-12H,4,8-10H2,1-3H3,(H,19,24)(H2,20,21,22,26)