(E)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25N3O3S/c1-16(2)14-15-28-19-11-9-18(10-12-19)21(27)24-25-22(29)23-20(26)13-8-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,24,27)(H2,23,25,26,29)/b13-8+