[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-13-3-4-14(2)20-19(13)23-22(31-20)25-9-7-24(8-10-25)21(27)18-12-15-11-16(26(28)29)5-6-17(15)30-18/h3-6,11-12H,7-10H2,1-2H3