N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide Formula: C21H20ClN5O6S MolecularWeight: 505.9314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O6S/c22-15-2-3-18-19(12-15)34-21(23-18)25(5-1-4-24-6-8-33-9-7-24)20(28)14-10-16(26(29)30)13-17(11-14)27(31)32/h2-3,10-13H,1,4-9H2