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

Systemtic Name: ethyl 4-[[[4-(cyclopropylcarbonylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2CC2

InChI

InChI=1S/C18H22N4O5S/c1-2-27-15(24)10-9-14(23)20-18(28)22-21-17(26)12-5-7-13(8-6-12)19-16(25)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,19,25)(H,21,26)(H2,20,22,23,28)