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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C20H18ClN5O6S MolecularWeight: 491.90482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O6S/c21-16-2-1-3-17-18(16)22-20(33-17)24(5-4-23-6-8-32-9-7-23)19(27)13-10-14(25(28)29)12-15(11-13)26(30)31/h1-3,10-12H,4-9H2