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

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3-chloro-2-morpholino-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H24ClN5O4S MolecularWeight: 489.97506

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=C(C(=CC=C3)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN5O4S/c23-16-4-3-5-17(20(16)27-10-12-32-13-11-27)24-22(33)25-21(29)15-6-7-18(19(14-15)28(30)31)26-8-1-2-9-26/h3-7,14H,1-2,8-13H2,(H2,24,25,29,33)