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

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3-chloro-2-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=C(C(=CC=C3)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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