3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-N-[[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(2,3-dichlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-[5-(2,3-dichlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-[5-(2,3-dichlorophenyl)-2-furyl]acrylamide Formula: C28H18Cl3N3O3S MolecularWeight: 582.88482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)Cl

InChI

InChI=1S/C28H18Cl3N3O3S/c1-15-5-10-22-24(13-15)37-27(33-22)19-14-16(6-9-20(19)29)32-28(38)34-25(35)12-8-17-7-11-23(36-17)18-3-2-4-21(30)26(18)31/h2-14H,1H3,(H2,32,34,35,38)