N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H24ClN5O3S MolecularWeight: 473.97566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O3S/c23-16-6-5-7-17(20(16)27-12-3-4-13-27)24-22(32)25-21(29)15-8-9-18(19(14-15)28(30)31)26-10-1-2-11-26/h5-9,14H,1-4,10-13H2,(H2,24,25,29,32)