1-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-nitro-phenyl]ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12(24)13-2-4-15(17(10-13)23(25)26)20-14-3-5-16-18(11-14)28-19(21-16)22-6-8-27-9-7-22/h2-5,10-11,20H,6-9H2,1H3