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

Systemtic Name: 2-methoxyethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-butyramidophenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-3-4-15(22)19-13-5-7-14(8-6-13)20-18(27)21-16(23)9-10-17(24)26-12-11-25-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,22)(H2,20,21,23,27)