N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H24ClN5O4S MolecularWeight: 489.97506

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