5-nitro-2-pyrrolidin-1-yl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-nitro-2-pyrrolidin-1-yl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-nitro-2-pyrrolidin-1-yl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 5-nitro-2-(1-pyrrolidinyl)-N-[[3-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-nitro-2-pyrrolidin-1-yl-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-nitro-2-pyrrolidino-N-[(3-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c28-21(19-15-18(27(29)30)8-9-20(19)26-12-3-4-13-26)24-22(31)23-16-6-5-7-17(14-16)25-10-1-2-11-25/h5-9,14-15H,1-4,10-13H2,(H2,23,24,28,31)