(4-morpholin-4-ylcarbothioylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) 4-methylbenzenesulfonate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCOCC3

InChI

InChI=1S/C18H19NO4S2/c1-14-2-8-17(9-3-14)25(20,21)23-16-6-4-15(5-7-16)18(24)19-10-12-22-13-11-19/h2-9H,10-13H2,1H3