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

Systemtic Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-furamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O3S/c1-2-13-5-7-14(8-6-13)20-23-16-12-15(9-10-17(16)27-20)22-21(28)24-19(25)18-4-3-11-26-18/h3-12H,2H2,1H3,(H2,22,24,25,28)