2-morpholin-4-yl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H25N5O4S/c28-21(19-15-18(27(29)30)7-8-20(19)26-11-13-31-14-12-26)24-22(32)23-16-3-5-17(6-4-16)25-9-1-2-10-25/h3-8,15H,1-2,9-14H2,(H2,23,24,28,32)