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

Systemtic Name: (E)-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3S/c1-15(2)14-27-18-11-9-17(10-12-18)20(26)23-24-21(28)22-19(25)13-8-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,23,26)(H2,22,24,25,28)/b13-8+