(E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-(phenylazanylcarbamothioyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-(phenylazanylcarbamothioyl)prop-2-enamide Openeye Name: (E)-N-(anilinocarbamothioyl)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[(phenylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-(anilinocarbamothioyl)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide Traditional Name: (E)-N-(anilinothiocarbamoyl)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]acrylamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=CC(=O)NC(=S)NNC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NNC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-14-7-8-15(13-18(14)22)19-11-9-17(27-19)10-12-20(26)23-21(28)25-24-16-5-3-2-4-6-16/h2-13,24H,1H3,(H2,23,25,26,28)/b12-10+