[3,4,5-triacetyloxy-6-[(4-bromophenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[(4-bromophenyl)carbamothioylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(4-bromophenyl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(4-bromophenyl)carbamothioylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[(4-bromophenyl)thiocarbamoylamino]tetrahydropyran-2-yl]methyl ester Formula: C21H25BrN2O9S MolecularWeight: 561.4002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=S)NC2=CC=C(C=C2)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H25BrN2O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-7-5-14(22)6-8-15/h5-8,16-20H,9H2,1-4H3,(H2,23,24,34)