N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c29-23(16-10-11-20(21(15-16)28(30)31)27-12-3-4-13-27)25-18-7-5-6-17(14-18)24-26-19-8-1-2-9-22(19)32-24/h1-2,5-11,14-15H,3-4,12-13H2,(H,25,29)