N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-morpholino-5-nitro-benzamide Formula: C18H14Cl2N4O4S MolecularWeight: 453.29916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

InChI

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