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

Systemtic Name: 2-methoxyethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-butoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-butoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-butoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C18H26N2O5S/c1-3-4-10-24-15-7-5-6-14(13-15)19-18(26)20-16(21)8-9-17(22)25-12-11-23-2/h5-7,13H,3-4,8-12H2,1-2H3,(H2,19,20,21,26)