(E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c1-3-27-16-9-5-14(6-10-16)7-11-18(25)22-20(28)24-23-19(26)15-8-4-13(2)17(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H2,22,24,25,28)/b11-7+