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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17N3O5S/c1-28-17-8-7-14(22-24-15-4-2-3-5-18(15)31-22)10-16(17)25-23(32)26-21(27)13-6-9-19-20(11-13)30-12-29-19/h2-11H,12H2,1H3,(H2,25,26,27,32)