2-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-5-nitro-benzamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-14-2-5-18-19(12-14)31-21(23-18)25(7-6-24-8-10-30-11-9-24)20(27)16-13-15(26(28)29)3-4-17(16)22/h2-5,12-13H,6-11H2,1H3