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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-16-15-17(7-8-19(16)26(28)29)21(27)25(10-4-9-24-11-13-30-14-12-24)22-23-18-5-2-3-6-20(18)31-22/h2-3,5-8,15H,4,9-14H2,1H3