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

Systemtic Name: (E)-3-[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]-N-(furan-2-ylmethylcarbamothioyl)prop-2-enamide Openeye Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(2-furylmethylcarbamothioyl)prop-2-enamide CAS Name: (E)-3-[5-(3-chloro-4-methylphenyl)-2-furanyl]-N-[(2-furanylmethylamino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(furan-2-ylmethylcarbamothioyl)prop-2-enamide Traditional Name: (E)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-N-(2-furfurylthiocarbamoyl)acrylamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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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)NCC3=CC=CO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC(=S)NCC3=CC=CO3)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-13-4-5-14(11-17(13)21)18-8-6-15(26-18)7-9-19(24)23-20(27)22-12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H2,22,23,24,27)/b9-7+