2-chloranyl-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2-chloro-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2-chloro-5-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2-chloro-5-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O3S/c19-14-5-4-12(23(25)26)10-13(14)17(24)20-11-3-6-15-16(9-11)27-18(21-15)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8H2,(H,20,24)