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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-nitro-benzamide Formula: C21H21BrN4O4S MolecularWeight: 505.38484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN4O4S/c22-16-4-7-18-19(14-16)31-21(23-18)25(9-1-8-24-10-12-30-13-11-24)20(27)15-2-5-17(6-3-15)26(28)29/h2-7,14H,1,8-13H2