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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-11-8-13(20)10-16-17(11)21-19(29-16)22-18(25)12-2-3-14(15(9-12)24(26)27)23-4-6-28-7-5-23/h2-3,8-10H,4-7H2,1H3,(H,21,22,25)