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

Systemtic Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S2/c1-11-3-2-4-12-15(11)18-17(26-12)20-9-7-19(8-10-20)16(22)13-5-6-14(25-13)21(23)24/h2-6H,7-10H2,1H3