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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]prop-2-enamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-[5-(2,3-dichlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-[5-(2,3-dichlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-[5-(2,3-dichlorophenyl)-2-furyl]acrylamide Formula: C28H19Cl2N3O3S MolecularWeight: 548.43976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H19Cl2N3O3S/c1-16-18(27-31-22-9-2-3-11-24(22)36-27)6-5-10-21(16)32-28(37)33-25(34)15-13-17-12-14-23(35-17)19-7-4-8-20(29)26(19)30/h2-15H,1H3,(H2,32,33,34,37)