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

Systemtic Name: N-(2-dimethylaminoethyl)-2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-2-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-2-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H20N4O3S2/c1-21(2)10-11-22(18(24)14-6-4-5-7-16(14)27-3)19-20-15-9-8-13(23(25)26)12-17(15)28-19/h4-9,12H,10-11H2,1-3H3