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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-19(15-4-3-5-16(14-15)24(26)27)23(9-8-22-10-12-28-13-11-22)20-21-17-6-1-2-7-18(17)29-20/h1-7,14H,8-13H2