N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,1-dioxothian-4-amine Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-(1,1-diketothian-4-yl)amine Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C13H16BrNO4S/c14-11-5-9(6-12-13(11)19-8-18-12)7-15-10-1-3-20(16,17)4-2-10/h5-6,10,15H,1-4,7-8H2