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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H19IN4O3S MolecularWeight: 570.40213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19IN4O3S/c25-16-8-9-18(17(14-16)24-27-19-5-1-2-6-22(19)33-24)26-23(30)15-7-10-20(21(13-15)29(31)32)28-11-3-4-12-28/h1-2,5-10,13-14H,3-4,11-12H2,(H,26,30)