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

Systemtic Name: phenethyl 4-[[(4-hexoxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(4-hexoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-hexoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O5S/c1-2-3-4-8-18-33-22-13-11-21(12-14-22)25(32)28-29-26(35)27-23(30)15-16-24(31)34-19-17-20-9-6-5-7-10-20/h5-7,9-14H,2-4,8,15-19H2,1H3,(H,28,32)(H2,27,29,30,35)