N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C18H14Cl2N4O4S MolecularWeight: 453.29916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=CC(=C4S3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(C=CC(=C4S3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl2N4O4S/c19-11-2-3-12(20)16-15(11)21-18(29-16)22-17(25)10-1-4-13(14(9-10)24(26)27)23-5-7-28-8-6-23/h1-4,9H,5-8H2,(H,21,22,25)