[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloranyl-5-nitro-phenyl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloranyl-5-nitro-phenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-5-nitro-phenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-chloro-5-nitrophenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-5-nitrophenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(2-chloro-5-nitro-phenyl)methanone Formula: C18H14BrClN4O3S MolecularWeight: 481.75076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14BrClN4O3S/c19-11-1-4-15-16(9-11)28-18(21-15)23-7-5-22(6-8-23)17(25)13-10-12(24(26)27)2-3-14(13)20/h1-4,9-10H,5-8H2