[4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2,5-dimethyl-3-[4-morpholinyl(sulfanylidene)methyl]-1-pyrrolyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] ester Formula: C24H26N2O4S2 MolecularWeight: 470.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=CC(=C3C)C(=S)N4CCOCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N3C(=CC(=C3C)C(=S)N4CCOCC4)C

InChI

InChI=1S/C24H26N2O4S2/c1-17-4-10-22(11-5-17)32(27,28)30-21-8-6-20(7-9-21)26-18(2)16-23(19(26)3)24(31)25-12-14-29-15-13-25/h4-11,16H,12-15H2,1-3H3