3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitro-benzamide

Systemtic Name: 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitro-benzamide Openeye Name: 3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzamide CAS Name: 3-methyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-nitrobenzamide Traditional Name: 3-methyl-N-(2-morpholino-1,3-benzothiazol-6-yl)-2-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C19H18N4O4S/c1-12-3-2-4-14(17(12)23(25)26)18(24)20-13-5-6-15-16(11-13)28-19(21-15)22-7-9-27-10-8-22/h2-6,11H,7-10H2,1H3,(H,20,24)