[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(6-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S2/c1-13-2-4-16-18(10-13)30-21(22-16)24-8-6-23(7-9-24)20(26)19-12-14-11-15(25(27)28)3-5-17(14)29-19/h2-5,10-12H,6-9H2,1H3