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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC(=CC=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O4S/c1-2-27-21(26)14-13-20(25)24-22(29)23-18-11-6-12-19(16-18)28-15-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-14,16H,2,7,10,15H2,1H3,(H2,23,24,25,29)/b14-13+