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

Systemtic Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-piperonylamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-14(2)16-6-8-21-20(10-16)27-25(33-21)18-5-4-15(3)19(11-18)28-26(34)29-24(30)17-7-9-22-23(12-17)32-13-31-22/h4-12,14H,13H2,1-3H3,(H2,28,29,30,34)