N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-morpholino-3-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O4S/c1-16-18(25-27-20-6-2-3-8-23(20)34-25)5-4-7-19(16)26-24(30)17-9-10-21(22(15-17)29(31)32)28-11-13-33-14-12-28/h2-10,15H,11-14H2,1H3,(H,26,30)