2-(4-chlorophenyl)sulfanyl-N-[2-(dimethylaminomethyl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(dimethylaminomethyl)phenyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(dimethylaminomethyl)phenyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(dimethylaminomethyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(dimethylaminomethyl)phenyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(dimethylaminomethyl)phenyl]-5-nitro-benzamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-25(2)14-15-5-3-4-6-20(15)24-22(27)19-13-17(26(28)29)9-12-21(19)30-18-10-7-16(23)8-11-18/h3-13H,14H2,1-2H3,(H,24,27)