4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Formula: C22H19ClN4O5S2 MolecularWeight: 518.99306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C(=S)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H19ClN4O5S2/c23-19-15-3-2-14(27(29)30)12-18(15)34-20(19)21(28)25-5-7-26(8-6-25)22(33)24-13-1-4-16-17(11-13)32-10-9-31-16/h1-4,11-12H,5-10H2,(H,24,33)