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

Systemtic Name: 2-methoxyethyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-hexoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-3-4-5-6-13-29-17-9-7-16(8-10-17)20(27)23-24-21(31)22-18(25)11-12-19(26)30-15-14-28-2/h7-10H,3-6,11-15H2,1-2H3,(H,23,27)(H2,22,24,25,31)