N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(2-dimethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c1-21(2)6-7-22(19-20-16-5-4-15(30-3)11-17(16)31-19)18(25)12-8-13(23(26)27)10-14(9-12)24(28)29/h4-5,8-11H,6-7H2,1-3H3