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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5O4

InChI

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