N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxothian-4-amine Traditional Name: (2-bromo-4,5-dimethoxy-benzyl)-(1,1-diketothian-4-yl)amine Formula: C14H20BrNO4S MolecularWeight: 378.2819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNC2CCS(=O)(=O)CC2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNC2CCS(=O)(=O)CC2)Br)OC

InChI

InChI=1S/C14H20BrNO4S/c1-19-13-7-10(12(15)8-14(13)20-2)9-16-11-3-5-21(17,18)6-4-11/h7-8,11,16H,3-6,9H2,1-2H3