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

Systemtic Name: 2-methoxyethyl 4-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2

InChI

InChI=1S/C22H30N4O6S/c1-31-13-14-32-19(28)12-11-18(27)24-22(33)26-25-21(30)16-7-9-17(10-8-16)23-20(29)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,23,29)(H,25,30)(H2,24,26,27,33)