4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 4-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]thiocarbamoylamino]benzoate Formula: C18H14BrN2O4S- MolecularWeight: 434.28376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H15BrN2O4S/c1-25-15-8-5-13(19)10-12(15)4-9-16(22)21-18(26)20-14-6-2-11(3-7-14)17(23)24/h2-10H,1H3,(H,23,24)(H2,20,21,22,26)/p-1/b9-4+