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

Systemtic Name: ethyl (E)-4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(4-isobutoxybenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-isobutoxybenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-4-25-16(23)10-9-15(22)19-18(27)21-20-17(24)13-5-7-14(8-6-13)26-11-12(2)3/h5-10,12H,4,11H2,1-3H3,(H,20,24)(H2,19,21,22,27)/b10-9+