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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3,5-dinitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3,5-dinitrobenzamide Traditional Name: N-(4-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=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O6S/c22-17-3-1-4-18-19(17)23-21(34-18)25(6-2-5-24-7-9-33-10-8-24)20(28)14-11-15(26(29)30)13-16(12-14)27(31)32/h1,3-4,11-13H,2,5-10H2