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

Systemtic Name: 2-chloranyl-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(6-morpholino-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(6-morpholino-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4S/c19-14-9-12(23(25)26)1-3-13(14)17(24)21-18-20-15-4-2-11(10-16(15)28-18)22-5-7-27-8-6-22/h1-4,9-10H,5-8H2,(H,20,21,24)