(E)-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C22H16ClN3O3S/c1-13-4-5-14(21-24-18-12-15(23)6-8-19(18)29-21)11-17(13)25-22(30)26-20(27)9-7-16-3-2-10-28-16/h2-12H,1H3,(H2,25,26,27,30)/b9-7+