5-(3,4-dimethylphenyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-furamide Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5)C

InChI

InChI=1S/C26H20N4O3S/c1-15-5-6-17(12-16(15)2)21-9-10-23(32-21)24(31)30-26(34)28-19-7-8-22-20(13-19)29-25(33-22)18-4-3-11-27-14-18/h3-14H,1-2H3,(H2,28,30,31,34)