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

Systemtic Name: methyl 4-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-29-17(26)12-11-16(25)22-20(30)24-23-19(28)14-7-9-15(10-8-14)21-18(27)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,27)(H,23,28)(H2,22,24,25,30)