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

Systemtic Name: N-[[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-piperonylamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20ClN3O4S/c1-13(2)14-4-7-20-19(9-14)27-24(33-20)16-3-6-17(26)18(10-16)28-25(34)29-23(30)15-5-8-21-22(11-15)32-12-31-21/h3-11,13H,12H2,1-2H3,(H2,28,29,30,34)