ethyl (E)-4-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/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/h8-14H,2-7H2,1H3,(H,22,28)(H,24,29)(H2,23,25,26,31)/b13-12+