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

Systemtic Name: [4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C17H15ClN4O3S2 MolecularWeight: 422.909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O3S2/c1-10-11(18)2-3-12-15(10)19-17(27-12)21-8-6-20(7-9-21)16(23)13-4-5-14(26-13)22(24)25/h2-5H,6-9H2,1H3