N-(9H-fluoren-2-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(9H-fluoren-2-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(9H-fluoren-2-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(9H-fluoren-2-ylamino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(9H-fluoren-2-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(9H-fluoren-2-ylthiocarbamoyl)-3-nitro-4-pyrrolidino-benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)C5=CC=CC=C5C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)C5=CC=CC=C5C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c30-24(17-7-10-22(23(15-17)29(31)32)28-11-3-4-12-28)27-25(33)26-19-8-9-21-18(14-19)13-16-5-1-2-6-20(16)21/h1-2,5-10,14-15H,3-4,11-13H2,(H2,26,27,30,33)