N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O4S/c1-15-3-8-18(23)20-19(15)24-22(32-20)26(10-2-9-25-11-13-31-14-12-25)21(28)16-4-6-17(7-5-16)27(29)30/h3-8H,2,9-14H2,1H3