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

Systemtic Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-piperonylamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O4S/c1-13-4-2-3-5-16(13)22-25-17-11-15(7-9-18(17)30-22)24-23(31)26-21(27)14-6-8-19-20(10-14)29-12-28-19/h2-11H,12H2,1H3,(H2,24,26,27,31)