N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-morpholino-3-nitro-benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O4S/c1-17-3-4-18(2)24(15-17)33-21-8-6-20(7-9-21)26-25(29)19-5-10-22(23(16-19)28(30)31)27-11-13-32-14-12-27/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)