3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C23H19N3O2S/c1-15-19-4-2-3-5-20(19)28-21(15)22(27)26-23(29)25-18-8-6-16(7-9-18)14-17-10-12-24-13-11-17/h2-13H,14H2,1H3,(H2,25,26,27,29)