N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-piperonylamide Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O5S/c20-14-10-13(24(26)27)2-3-15(14)22-5-7-23(8-6-22)19(30)21-18(25)12-1-4-16-17(9-12)29-11-28-16/h1-4,9-10H,5-8,11H2,(H,21,25,30)