[1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-(6-bromanyl-3-butyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)-1-oxidanylidene-propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [2-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)-1-methyl-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(6-bromo-3-butyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(6-bromo-3-butyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H28BrNO4S2 MolecularWeight: 514.49602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N(CC)CC)O)Br)C

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C(=O)C(C)SC(=S)N(CC)CC)O)Br)C

InChI

InChI=1S/C22H28BrNO4S2/c1-6-9-10-14-12(4)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(5)30-22(29)24(7-2)8-3/h11,13,26H,6-10H2,1-5H3