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

Systemtic Name: N-(2-dimethylaminoethyl)-2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-(2-dimethylaminoethyl)-2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(2-dimethylaminoethyl)-2-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-(2-dimethylaminoethyl)-2-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-(2-dimethylaminoethyl)-2-methyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-nitro-benzamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C20H22N4O3S2/c1-13-15(6-5-7-17(13)24(26)27)19(25)23(11-10-22(2)3)20-21-16-9-8-14(28-4)12-18(16)29-20/h5-9,12H,10-11H2,1-4H3