(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(3-thenyl)piperazino]methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C18H19N3O5S/c22-18(20-4-2-19(3-5-20)11-13-1-8-27-12-13)14-9-16-17(26-7-6-25-16)10-15(14)21(23)24/h1,8-10,12H,2-7,11H2