N-[[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18ClN3O3S/c1-12(2)13-6-8-18-17(10-13)24-21(29-18)14-5-7-15(23)16(11-14)25-22(30)26-20(27)19-4-3-9-28-19/h3-12H,1-2H3,(H2,25,26,27,30)