ethyl (E)-4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-4-26-17(24)10-9-16(23)20-19(28)22-21-18(25)14-5-7-15(8-6-14)27-12-11-13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,21,25)(H2,20,22,23,28)/b10-9+