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

Systemtic Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4S/c29-22(17-4-9-20(21(16-17)28(30)31)27-10-2-1-3-11-27)25-23(33)24-18-5-7-19(8-6-18)26-12-14-32-15-13-26/h4-9,16H,1-3,10-15H2,(H2,24,25,29,33)