2-methoxyethyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(3-methylbutanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(isovalerylamino)phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-13(2)12-17(24)20-14-4-6-15(7-5-14)21-19(28)22-16(23)8-9-18(25)27-11-10-26-3/h4-7,13H,8-12H2,1-3H3,(H,20,24)(H2,21,22,23,28)