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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chloranyl-2-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chloro-2-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-chloro-2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chloro-2-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperazino]-(5-chloro-2-nitro-phenyl)methanone Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O3S/c19-12-5-6-15(23(25)26)13(11-12)17(24)21-7-9-22(10-8-21)18-20-14-3-1-2-4-16(14)27-18/h1-6,11H,7-10H2