2-(4-bromanyl-2-nitro-phenyl)sulfanyl-N,N-dimethyl-5-(3-oxidanylpropoxy)benzamide

Systemtic Name: 2-(4-bromanyl-2-nitro-phenyl)sulfanyl-N,N-dimethyl-5-(3-oxidanylpropoxy)benzamide Openeye Name: 2-(4-bromo-2-nitro-phenyl)sulfanyl-5-(3-hydroxypropoxy)-N,N-dimethyl-benzamide CAS Name: 2-[(4-bromo-2-nitrophenyl)thio]-5-(3-hydroxypropoxy)-N,N-dimethylbenzamide IUPAC Name: 2-(4-bromo-2-nitrophenyl)sulfanyl-5-(3-hydroxypropoxy)-N,N-dimethylbenzamide Traditional Name: 2-[(4-bromo-2-nitro-phenyl)thio]-5-(3-hydroxypropoxy)-N,N-dimethyl-benzamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)OCCCO)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)OCCCO)SC2=C(C=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H19BrN2O5S/c1-20(2)18(23)14-11-13(26-9-3-8-22)5-7-16(14)27-17-6-4-12(19)10-15(17)21(24)25/h4-7,10-11,22H,3,8-9H2,1-2H3