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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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