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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitro-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3-nitro-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-15-4-2-7-18-19(15)22-21(30-18)24(9-8-23-10-12-29-13-11-23)20(26)16-5-3-6-17(14-16)25(27)28/h2-7,14H,8-13H2,1H3