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

Systemtic Name: N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5-chloro-6-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=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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