N-[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-bis(chloranyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichloro-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H18Cl2N4O3S MolecularWeight: 513.39572

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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)C4=NC5=CC=CC=C5S4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H18Cl2N4O3S/c25-16-13-17(26)19(12-15(16)24-28-18-5-1-2-6-22(18)34-24)27-23(31)14-7-8-20(21(11-14)30(32)33)29-9-3-4-10-29/h1-2,5-8,11-13H,3-4,9-10H2,(H,27,31)