[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H17Br2NO4S2 MolecularWeight: 535.26988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br

InChI

InChI=1S/C18H17Br2NO4S2/c1-12-2-4-14(5-3-12)27(22,23)25-17-15(19)10-13(11-16(17)20)18(26)21-6-8-24-9-7-21/h2-5,10-11H,6-9H2,1H3