N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-piperonylamide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O5S/c24-18(13-1-6-16-17(11-13)28-12-27-16)20-19(29)22-9-7-21(8-10-22)14-2-4-15(5-3-14)23(25)26/h1-6,11H,7-10,12H2,(H,20,24,29)