N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19N3O3S/c1-12-9-14(3)19-17(10-12)23-21(28-19)15-7-6-13(2)16(11-15)24-22(29)25-20(26)18-5-4-8-27-18/h4-11H,1-3H3,(H2,24,25,26,29)