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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-5-nitro-2-pyrrolidino-benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)C

InChI

InChI=1S/C26H24N4O3S/c1-17-13-18(2)15-20(14-17)29(26-27-22-7-3-4-8-24(22)34-26)25(31)21-16-19(30(32)33)9-10-23(21)28-11-5-6-12-28/h3-4,7-10,13-16H,5-6,11-12H2,1-2H3