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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitrobenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3,5-dinitro-benzamide Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN5O5S/c1-4-24(5-2)6-7-25(21-23-19-13(3)8-15(22)11-18(19)33-21)20(28)14-9-16(26(29)30)12-17(10-14)27(31)32/h8-12H,4-7H2,1-3H3