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

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3S/c28-21(16-9-10-19(20(15-16)27(29)30)26-13-5-6-14-26)24-22(31)23-17-7-1-2-8-18(17)25-11-3-4-12-25/h1-2,7-10,15H,3-6,11-14H2,(H2,23,24,28,31)