2-methoxyethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-hexoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-hexoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-hexoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C20H30N2O5S/c1-3-4-5-6-13-26-17-9-7-16(8-10-17)21-20(28)22-18(23)11-12-19(24)27-15-14-25-2/h7-10H,3-6,11-15H2,1-2H3,(H2,21,22,23,28)