N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]-piperonylamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c24-18(12-1-4-16-17(9-12)29-11-28-16)21-19(30)20-13-2-3-14(15(10-13)23(25)26)22-5-7-27-8-6-22/h1-4,9-10H,5-8,11H2,(H2,20,21,24,30)