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

Systemtic Name: N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c23-17(12-2-1-3-14(10-12)22(24)25)20-18-19-15-5-4-13(11-16(15)27-18)21-6-8-26-9-7-21/h1-5,10-11H,6-9H2,(H,19,20,23)