N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c1-25-6-8-26(9-7-25)17-4-2-15(10-18(17)27(29)30)21(28)24-22-23-16(12-33-22)14-3-5-19-20(11-14)32-13-31-19/h2-5,10-12H,6-9,13H2,1H3,(H,23,24,28)