[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: (5-methyl-4-nitro-2-thienyl)-(4-piperonylpiperazino)methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-12-14(21(23)24)9-17(27-12)18(22)20-6-4-19(5-7-20)10-13-2-3-15-16(8-13)26-11-25-15/h2-3,8-9H,4-7,10-11H2,1H3