(E)-N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)C)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)C)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-4-30-18-9-5-16(6-10-18)7-12-21(28)25-23(32)27-26-22(29)14-31-20-11-8-17(15(2)3)13-19(20)24/h5-13,15H,4,14H2,1-3H3,(H,26,29)(H2,25,27,28,32)/b12-7+