(E)-N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-N-[(4-bromo-2-methyl-phenyl)carbamothioyl]-3-(5-phenyl-2-furyl)prop-2-enamide CAS Name: (E)-N-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-N-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]-3-(5-phenyl-2-furyl)acrylamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O2S/c1-14-13-16(22)7-10-18(14)23-21(27)24-20(25)12-9-17-8-11-19(26-17)15-5-3-2-4-6-15/h2-13H,1H3,(H2,23,24,25,27)/b12-9+