5-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-(3-pyridylmethylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(3-pyridylmethylthiocarbamoyl)-2-furamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NCC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NCC3=CN=CC=C3)C

InChI

InChI=1S/C20H19N3O2S/c1-13-5-6-16(10-14(13)2)17-7-8-18(25-17)19(24)23-20(26)22-12-15-4-3-9-21-11-15/h3-11H,12H2,1-2H3,(H2,22,23,24,26)