(E)-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-(5-methyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(5-methyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-(5-methyl-2-furyl)acrylamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-10-3-5-12(25-10)6-8-15(22)19-17(26)21-20-16(23)11-4-7-14(24-2)13(18)9-11/h3-9H,1-2H3,(H,20,23)(H2,19,21,22,26)/b8-6+