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

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O5S/c21-14-2-3-15(16(12-14)25(27)28)23-5-7-24(8-6-23)20(31)22-19(26)13-1-4-17-18(11-13)30-10-9-29-17/h1-4,11-12H,5-10H2,(H,22,26,31)