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

Systemtic Name: ethyl 4-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-2-30-18(27)13-12-17(26)23-21(31)25-24-20(29)15-8-10-16(11-9-15)22-19(28)14-6-4-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H,22,28)(H,24,29)(H2,23,25,26,31)