N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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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)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H20N4O5S/c25-19(14-1-6-17-18(13-14)29-12-11-28-17)21-20(30)23-9-7-22(8-10-23)15-2-4-16(5-3-15)24(26)27/h1-6,13H,7-12H2,(H,21,25,30)