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

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H26ClN5O4S MolecularWeight: 504.00164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCOCC4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCOCC4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN5O4S/c24-18-15-17(5-7-19(18)28-10-12-33-13-11-28)25-23(34)26-22(30)16-4-6-20(21(14-16)29(31)32)27-8-2-1-3-9-27/h4-7,14-15H,1-3,8-13H2,(H2,25,26,30,34)