propyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-hexoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-3-5-6-7-15-28-17-10-8-16(9-11-17)20(27)23-24-21(30)22-18(25)12-13-19(26)29-14-4-2/h8-11H,3-7,12-15H2,1-2H3,(H,23,27)(H2,22,24,25,30)