phenethyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-isobutoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-isobutoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O5S/c1-17(2)16-32-20-10-8-19(9-11-20)23(30)26-27-24(33)25-21(28)12-13-22(29)31-15-14-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,26,30)(H2,25,27,28,33)